SCHEMBL4395617

SCHEMBL4395617

O=c1oc(-c2ccc(F)cc2)nc2sccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TP53 P04637 1/20 0.49
▸ ELANE P08246 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NOTUM Q6P988 1/20 0.41
▸ USP1 O94782 1/20 0.40
▸ USP19 O94966 1/20 0.40
▸ UCHL3 P15374 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ GUSB P08236 1/20 0.37

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
SCHEMBL4187104 0.77 MAPT (0.55) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL914214 0.76 MAPT (1.00) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL25211145 0.75 ESR1 (0.46) MAPTALDH1A1MEN1KMT2AELANE
SCHEMBL30500261 0.75 ESR1 (0.46) MAPTALDH1A1MEN1KMT2AELANE
SCHEMBL914639 0.74 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL914095 0.73 MEN1 (1.00) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL913448 0.72 ELANE (0.78) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL914426 0.72 KDM4E (0.58) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL11872100 0.70 ELANE (0.58) MAPTALDH1A1MEN1KMT2AELANE
SCHEMBL12927374 0.70 ELANE (0.56) MAPTALDH1A1MEN1KMT2ATP53

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
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 — — US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 — — US disclosed
US-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-04-23 — — US disclosed
WO-2009026241-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-26 — — 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-20090105124-A1 HETEROCYCLIC MODULATORS OF TGR5 GPBAR1, GPR119, GRK5 MAPT 4164/4885ALDH1A1 2426/4885MEN1 4670/4885

“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.

Send feedback