SCHEMBL865701

SCHEMBL865701

CCCCN(CCC)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
KCNA5 P22460 2/20 0.32
KCNH2 Q12809 1/20 0.32
DNM1 Q05193 3/20 0.32
CA1 P00915 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
OPRM1 P35372 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNE1 P15382 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL865548 0.94 MMP1 (0.36) MMP1MMP2MMP3MMP8DNM1
SCHEMBL17087496 0.92 DNM1 (0.42) FDPSKCNA5KCNH2DNM1CA1
Bromide SCHEMBL31364322 0.92 DNM1 (0.38) MMP1MMP2MMP3MMP8DNM1
Hydrochloric Acid SCHEMBL1428262 0.92 DNM1 (0.38) MMP1MMP2MMP3MMP8DNM1
Water SCHEMBL28587222 0.92 TSHR (0.35) MMP1MMP2MMP3MMP8DNM1
SCHEMBL19604078 0.90 DNM1 (0.46) DNM1CA1TSHRCA12CA9
SCHEMBL18789495 0.90 DNM1 (0.46) DNM1CA1TSHRCA12CA9
SCHEMBL865718 0.89 DNM1 (0.43) MMP1MMP2MMP3MMP8DNM1
SCHEMBL1686729 0.88 FDPS (0.42) FDPSKCNA5KCNH2CA1CA12
SCHEMBL10379743 0.86 DNM1 (0.48) DNM1CA1TSHRCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816164-B9 ISOTHIAZOLO[5,4-D]PYRIMIDINE COMPOUND AS IRAK4 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2024-07-10 EP disclosed
US-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
WO-2024126842-A1 NOVEL COMPOUNDS FOR DIAGNOSIS AC IMMUNE SA (CH) 2024-06-20 WO disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230373930-A1 AMINOIMIDAZOLE FPR2 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-11-23 US disclosed
EP-3621615-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-11-15 EP disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230338371-A1 PHARMACEUTICAL COMPOSITIONS OF PROTAC COMPOUNDS AND USES THEREOF Shenzhen Pharmacin Co., Ltd. (CN) 2023-10-26 US disclosed
US-20150258068-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2015-09-17 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 EP disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 FDPS 454/4885MMP1 734/4885MMP2 661/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 FDPS 1478/4885MMP1 2923/4885MMP2 1813/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FDPS 2515/4885MMP1 3147/4885MMP2 1342/4885
US-20230338371-A1 PHARMACEUTICAL COMPOSITIONS OF PROTAC COMPOUNDS AND USES THEREOF ADRM1, PSMC1, UBE3C FDPS 4505/4885MMP1 2624/4885MMP2 3169/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS FDPS 2178/4885MMP1 4818/4885MMP2 4016/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 FDPS 785/4885MMP1 54/4885MMP2 219/4885
US-20150258068-A1 COMBINATION THERAPIES HDAC1, HDAC8, HDAC5 FDPS 4500/4885MMP1 3088/4885MMP2 2957/4885
US-20230373930-A1 AMINOIMIDAZOLE FPR2 AGONISTS FPR2, FPR1, FPR3 FDPS 756/4885MMP1 2422/4885MMP2 3084/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF FDPS 3973/4885MMP1 4447/4885MMP2 4189/4885

“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.