SCHEMBL897552

SCHEMBL897552

NNc1cccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.44
GRM4 Q14833 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
EGFR P00533 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
ARNT P27540 1/20 0.35
EPAS1 Q99814 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL670310 0.98 PTGES2 (0.42) PTGES2GRM4LMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL31597662 0.98 PTGES2 (0.42) PTGES2GRM4LMNAALDH1A1MAPT
SCHEMBL27911616 0.81 PTGES2 (0.42) PTGES2GRM4LMNATAAR1EGFR
SCHEMBL19089434 0.77 PTGES2 (0.40) PTGES2GRM4LMNAEGFRSLC40A1
SCHEMBL27677274 0.77 PTGES2 (0.40) PTGES2GRM4LMNAEGFRSLC40A1
SCHEMBL8311149 0.77 PTGES2 (0.40) PTGES2GRM4ALDH1A1MAPTKDM4E
SCHEMBL560892 0.76 MEN1 (0.50) PTGES2LMNAALDH1A1MAPTKDM4E
SCHEMBL29544314 0.76 PTGES2 (0.41) PTGES2ALDH1A1MAPTKDM4ETDP1
SCHEMBL3231386 0.76 PTGES2 (0.41) PTGES2ALDH1A1MAPTKDM4ETDP1
SCHEMBL17948090 0.76 PTGES2 (0.39) PTGES2GRM4LMNAEGFRSLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 US disclosed
EP-2978751-B1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-05 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
CN-1529706-A Piperazine derivatives - 2004-09-15 CN disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
CN-1452622-A Piperzine devivs. HOFFMANN LA ROCHE (CH) 2003-10-29 CN disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 PTGES2 3331/4885GRM4 2481/4885LMNA 4512/4885
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 PTGES2 1609/4885GRM4 4588/4885LMNA 1870/4885
US-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 PTGES2 4593/4885GRM4 1830/4885LMNA 2777/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 PTGES2 1287/4885GRM4 4488/4885LMNA 1603/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 PTGES2 4593/4885GRM4 1830/4885LMNA 2777/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 PTGES2 2417/4885GRM4 2368/4885LMNA 1379/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 PTGES2 372/4885GRM4 2141/4885LMNA 1044/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 PTGES2 3331/4885GRM4 2481/4885LMNA 4512/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A PTGES2 3508/4885GRM4 2435/4885LMNA 1607/4885

“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.