SCHEMBL115571

SCHEMBL115571

C/C=C1\c2ccccc2C(=O)C1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HBB P68871 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 6/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 4/20 0.44
ALOX15 P16050 1/20 0.44
SLC25A5 P05141 2/20 0.44
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
ADORA3 P0DMS8 1/20 0.41
THRB P10828 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL29541198 0.81 MAPT (0.57) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2112664 0.69 HBB (0.61) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8893921 0.66 MAPT (0.65) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9403263 0.66 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9206122 0.66 MAPT (0.41) MAPTALDH1A1HBBHSD17B10LMNA
SCHEMBL19490492 0.66 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30250175 0.65 ATM (0.61) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL3143561 0.65 ATM (0.61) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL435148 0.64 HBB (1.00) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29729498 0.64 HBB (1.00) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 MAPT 4367/4885CYP1A2 4682/4885CYP2C9 4885/4885

“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.