SCHEMBL282261

SCHEMBL282261

COc1ncncc1Oc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
TEAD4 Q15561 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 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
SCHEMBL718817 0.81 MAPT (0.37) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL4797633 0.80 TEAD4 (0.46) TDP1MAPK1ALDH1A1CYP3A4TSHR
Sulfanilamide SCHEMBL28345678 0.75 CA2 (0.47) TDP1TSHRMEN1KMT2AEGFR
SCHEMBL18838245 0.74 CYP17A1 (0.42) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10073788 0.73 KDR (0.59) KDM4E
SCHEMBL31008552 0.69
SCHEMBL5735866 0.69
SCHEMBL178154 0.69 ALDH1A1 (0.64) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL10033032 0.69 KMT2A (0.39) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL527446 0.69 CYP17A1 (0.59) TDP1MAPK1ALDH1A1CYP3A4TSHR

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-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 TDP1 2286/4885MAPK1 3213/4885ALDH1A1 112/4885

“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.