SCHEMBL6312201

SCHEMBL6312201

Cc1nn(-c2cccc3ncccc23)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.45
IL1B P01584 1/20 0.44
ALKBH1 Q13686 1/20 0.43
HTR2C P28335 1/20 0.43
GRM4 Q14833 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
DHODH Q02127 1/20 0.40
MYC P01106 3/20 0.40
ACLY P53396 1/20 0.40
NSD2 O96028 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 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
SCHEMBL6258600 0.83 SLC9A1 (0.64) SLC9A1IL1BHTR2CGRM4MAPT
Hydrochloric Acid SCHEMBL6312203 0.83 SLC9A1 (0.62) SLC9A1IL1BHTR2CGRM4MAPT
SCHEMBL6312790 0.82 SLC9A1 (0.44) SLC9A1HTR2CMEN1KMT2ANSD2
Hydrochloric Acid SCHEMBL6312192 0.81 SLC9A1 (0.43) SLC9A1HTR2CMEN1KMT2ANSD2
SCHEMBL7087027 0.81 SLC9A1 (0.46) SLC9A1IL1BHTR2CMAPTACLY
SCHEMBL15072222 0.81 GRM4 (0.46) SLC9A1ALKBH1HTR2CGRM4MEN1
SCHEMBL6083025 0.78 SLC9A1 (0.46) SLC9A1IL1BHTR2CMAPTMEN1
SCHEMBL6312276 0.76 HTR2C (0.47) ALKBH1HTR2CTSHRKDM4EL3MBTL1
SCHEMBL15072737 0.76 GRM4 (0.42) HTR2CGRM4MEN1KMT2ANSD2
SCHEMBL6314496 0.76 NPSR1 (0.45) GRM4MAPTMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005094833-A1 NOVEL N-SUBSTITUTED DIHYDROBENZOTHIEPINO, DIHYDROBENZOXEPINO AND TETRAHYDRO BENZOCYCLOHEPTA INDOLES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-13 WO claimed
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
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
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US 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 SLC9A1 5/4885IL1B 2780/4885ALKBH1 1179/4885

“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.