SCHEMBL5099493

SCHEMBL5099493

CCCC(Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
PGR P06401 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL5091177 0.92 ALDH1A1 (0.44) AGTR1ALDH1A1LMNAKMT2ARAB9A
SCHEMBL443941 0.78 ALDH1A1 (0.42) ALDH1A1LMNACA1CA2KMT2A
SCHEMBL448304 0.73 ALDH1A1 (0.43) ALDH1A1LMNACA1CA2KMT2A
SCHEMBL5099364 0.73 ADCY6 (0.41) ALDH1A1LMNAKMT2ANR1H4
SCHEMBL446694 0.72 ADCY6 (0.42) ALDH1A1LMNAKMT2ANR1H4
SCHEMBL443391 0.72 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ANR1H4TSHR
SCHEMBL4638349 0.71 AGTR1 (0.47) AGTR1ALDH1A1KMT2APOLBRAB9A
SCHEMBL9710078 0.71 AGTR1 (0.43) AGTR1KMT2APOLBTSHR
SCHEMBL3883657 0.70 AGTR1 (0.47) AGTR1ALDH1A1KMT2APOLBRAB9A
SCHEMBL9710053 0.70 AGTR1 (0.46) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417052-B2 Phenylene derivative having tetrazole ring or thiazolidinedione ring SANKYO COMPANY, LIMITED (JP) 2008-08-26 US disclosed
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US disclosed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 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 (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-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 AGTR1 41/4885ALDH1A1 53/4885LMNA 4185/4885

“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.