SCHEMBL6851283

SCHEMBL6851283

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2cc(NC(=O)NCC3CC3)ccc2n1Cc1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SERPINE1 P05121 2/20 0.45
MAPT P10636 5/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
STAT1 P42224 1/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PLA2G2A P14555 1/20 0.40
MAPK8 P45983 1/20 0.39

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
SCHEMBL6855786 0.92 SERPINE1 (0.47) KMT2ASERPINE1MAPTALDH1A1CHRM2
SCHEMBL6851399 0.82 SERPINE1 (0.49) SERPINE1MAPTNPC1LMNARAB9A
SCHEMBL6858370 0.82 KMT2A (0.44) KMT2ASERPINE1MAPTALDH1A1PLA2G2A
Hydrochloric Acid SCHEMBL6859387 0.82 SERPINE1 (0.57) SERPINE1MAPK8PPARG
SCHEMBL6858375 0.81 KMT2A (0.47) KMT2ASERPINE1PLA2G2AMAPK8PPARG
SCHEMBL6851232 0.81 KMT2A (0.47) KMT2ASERPINE1PLA2G2AMAPK8PPARG
SCHEMBL6858323 0.80 KMT2A (0.46) KMT2ASERPINE1PLA2G2AMAPK8PPARG
SCHEMBL6859423 0.80 KMT2A (0.46) KMT2ASERPINE1PLA2G2AMAPK8PPARG
SCHEMBL6857652 0.80 SERPINE1 (0.57) KMT2AMEN1SERPINE1MAPTNPC1
SCHEMBL6859438 0.80 KMT2A (0.42) KMT2ASERPINE1MAPTALDH1A1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD KMT2A 2753/4885MEN1 3809/4885SERPINE1 4051/4885

“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.