SCHEMBL747018

SCHEMBL747018

NCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.59
TSHR P16473 1/20 0.57
HSD11B1 P28845 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
SRD5A2 P31213 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
AGTR1 P30556 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30022982 1.00 KMO (0.59) KMOTSHRHSD11B1HDAC3HDAC4
Hydrochloric Acid SCHEMBL745592 0.98 KMO (0.60) KMOTSHRHSD11B1HDAC3HDAC4
Hydrochloric Acid SCHEMBL30062390 0.98 KMO (0.60) KMOTSHRHSD11B1HDAC3HDAC4
Bromide SCHEMBL1444256 0.98 KMO (0.57) KMOTSHRHSD11B1HDAC3HDAC4
SCHEMBL10744419 0.84 KDM4E (0.51) KMOTSHRKDM4EALDH1A1HPGD
SCHEMBL9015106 0.83 TSHR (0.61) KMOTSHRHSD11B1HDAC3HDAC4
SCHEMBL18562167 0.82 KMO (0.42) KMOTSHRHSD11B1HDAC3HDAC4
SCHEMBL1443571 0.82 CYP1A2 (0.51) KMOTSHRHDAC3HDAC4HDAC1
SCHEMBL22570695 0.82 KCNQ3 (0.43) KMOTSHRALDH1A1HTT
SCHEMBL13116542 0.82 KCNQ3 (0.45) KMOTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. 2024-08-15 US disclosed
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2022251280-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE VIVIDION THERAPEUTICS, INC. (US) 2022-12-01 WO disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
EP-3230274-B1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20180118722-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
US-20180118722-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
EP-2429296-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 EP disclosed
US-20110224267-A1 Selective androgen receptor modulators Radius Health,Inc. (US) 2011-09-15 US disclosed
WO-2010132442-A1 7-([1,2,4,]TRIAZOLO[1,5,-A]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESERCH, INC. (US) 2010-11-18 WO disclosed
WO-2010132487-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROHPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-18 WO disclosed
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 US disclosed
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100292250-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4- TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN KMO 1227/4885TSHR 3159/4885HSD11B1 3708/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C KMO 49/4885TSHR 1373/4885HSD11B1 1142/4885
US-20240270705-A1 COMPOUNDS SELECTIVE FOR JAK1 AND METHODS OF USE JAK2, JAK1, JAK3 KMO 1818/4885TSHR 2579/4885HSD11B1 4045/4885
US-20110224267-A1 Selective androgen receptor modulators AR, SHBG, GPR119 KMO 2459/4885TSHR 512/4885HSD11B1 201/4885
US-20100292243-A1 7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF CIAPIN1, CLN6, SCN1A KMO 908/4885TSHR 3115/4885HSD11B1 3542/4885
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 KMO 2796/4885TSHR 3501/4885HSD11B1 1240/4885
US-20180118722-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 KMO 287/4885TSHR 3562/4885HSD11B1 3834/4885
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA KMO 2128/4885TSHR 2069/4885HSD11B1 1193/4885
US-10023539-B2 Aryl-cyanoguanidine compounds SMYD2, SETD2, SMYD3 KMO 286/4885TSHR 3348/4885HSD11B1 3634/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.