SCHEMBL6425920

SCHEMBL6425920

O=C(c1ccc(C(F)(F)F)cc1)c1ccc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.59
▸ MAOA P21397 1/20 0.59
▸ SRD5A2 P31213 3/20 0.55
▸ CES2 O00748 2/20 0.52
▸ CES1 P23141 2/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ PARP1 P09874 1/20 0.43

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
SCHEMBL8977549 0.83 SRD5A2 (0.60) MAOBMAOASRD5A2CES2ADORA1
SCHEMBL3950986 0.82 SRD5A2 (0.55) SRD5A2NPC1RAB9A
SCHEMBL3164756 0.79 LMNA (0.54) CES2CES1NPC1RAB9A
SCHEMBL648641 0.78 SRD5A2 (0.83) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL1897467 0.77 MAPT (0.56) SRD5A2CES2NPC1RAB9A
SCHEMBL1074961 0.77 ALDH1A1 (0.56) SRD5A2RAB9A
Hydrochloric Acid SCHEMBL27733522 0.76 SRD5A2 (0.79) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL371069 0.76 TSHR (0.54) NPC1RAB9A
SCHEMBL6424225 0.76 SMN1; SMN2 (0.67) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL3173685 0.76 HPGD (0.46) NPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 — — EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 — — WO disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 — — US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 — — EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 — — US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 — — US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 — — US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 — — 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 MAOB 1899/4885MAOA 2790/4885SRD5A2 371/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 MAOB 3114/4885MAOA 3861/4885SRD5A2 101/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 MAOB 3115/4885MAOA 3882/4885SRD5A2 98/4885

“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.

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