SCHEMBL6312152

SCHEMBL6312152

CCOC(=O)c1cnn(-c2ccc(Cl)cc2C(F)(F)F)c1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.54
HTT P42858 2/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPC1 P48995 1/20 0.40
TRPC3 Q13507 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
STIM2 Q9P246 1/20 0.40

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
SCHEMBL6429715 0.89 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL7655760 0.89 SPR (0.48) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6314587 0.87 KMT2A (0.56) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6312965 0.86 TP53 (0.49) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6314266 0.85 KMT2A (0.56) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6315567 0.84 POLB (0.52) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL8345290 0.80 ALDH1A1 (0.74) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6312162 0.80 TP53 (0.44) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL3721085 0.79 SLC9A1 (0.56) SMN1; SMN2HTTMAPT
Hydrochloric Acid SCHEMBL6311626 0.78 SLC9A1 (0.55) SMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 SMN1; SMN2 3122/4885KMT2A 3222/4885LMNA 1626/4885

“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.