SCHEMBL18656646

SCHEMBL18656646

Cc1[nH]c(C=O)c(C)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.33
CSF1R P07333 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
HPGD P15428 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL11307800 0.81 CYP1A2 (0.57) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL394139 0.81 ALDH1A1 (0.46) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL13303521 0.79 ALDH1A1 (0.39) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL28177075 0.78 POLB (0.42) ALDH1A1POLBKMT2ACYP1A2CYP3A4
SCHEMBL29446132 0.76 L3MBTL1 (0.50) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL15331397 0.76 ALDH1A1 (0.58) ALDH1A1POLBKMT2ARAB9ASMN1; SMN2
SCHEMBL25566840 0.76 BRD4 (0.49) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL1080599 0.75 ALDH1A1 (0.46) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL1627475 0.73 ALDH1A1 (0.66) ALDH1A1POLBKMT2ARAB9ACYP1A2
SCHEMBL13638870 0.72 POLB (0.38) ALDH1A1POLBKMT2ACYP1A2CYP3A4

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
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 WO disclosed
US-9808531-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2017-11-07 US disclosed
US-20170080092-A1 Compounds And Compositions for the Treatment of Ocular Disorders Graybug Vision, Inc. (US) 2017-03-23 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-20170080092-A1 Compounds And Compositions for the Treatment of Ocular Disorders PTGIR, PTGIS, CA2 ALDH1A1 1010/4885POLB 3189/4885KMT2A 4024/4885

“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.