SCHEMBL5843888

SCHEMBL5843888

Cc1c(Cl)cc(C)[n+]([O-])c1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11956562 0.81 TSHR (0.39) TSHRKDM4ENPC1S1PR4MAPT
SCHEMBL5844383 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5845142 0.73 TSHR (0.33) TSHR
SCHEMBL11848909 0.70 NPC1 (0.35) TSHRKDM4ENPC1HTTRAB9A
SCHEMBL6550332 0.69 TSHR (0.52) TSHRKDM4EALDH1A1NPC1S1PR4
SCHEMBL6093473 0.69 MAPT (0.56) TSHRKDM4EALDH1A1NPC1S1PR4
SCHEMBL8252355 0.68 KDM4E (0.43) TSHRKDM4EALDH1A1MAPT
SCHEMBL5845054 0.68 CYP3A4 (0.38) TSHRKDM4EALDH1A1NPC1HTT
Hydrochloric Acid SCHEMBL11613262 0.67 TSHR (0.50) TSHRKDM4EALDH1A1
SCHEMBL5844095 0.67 AR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11246411-A None JP disclosed
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
JP-H11246411-A INTERMEDIATE FOR PRODUCING CORTICOTROPIN RELEASING FACTOR ANTAGONIST PFIZER INC 1999-09-14 JP disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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 (1 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 TSHR 90/4885KDM4E 4501/4885ALDH1A1 4423/4885

“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.