SCHEMBL5836826

SCHEMBL5836826

CC(=O)Nc1c(C(=O)O)cc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ CDK2 P24941 2/20 0.43
▸ NCEH1 Q6PIU2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ANO1 Q5XXA6 1/20 0.42
▸ ANO2 Q9NQ90 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GPR35 Q9HC97 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ RXFP1 Q9HBX9 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
SCHEMBL9827265 0.77 CYP3A4 (0.59) CYP3A4CDK2NCEH1TSHRALDH1A1
SCHEMBL9558553 0.77 CYP3A4 (0.59) CYP3A4CDK2TSHRALDH1A1KMT2A
SCHEMBL5836018 0.77 CYP3A4 (0.59) CYP3A4CDK2NCEH1TSHRALDH1A1
SCHEMBL5837648 0.76 CYP3A4 (0.57) CYP3A4CDK2NCEH1TSHRANO1
SCHEMBL9636835 0.76 CYP3A4 (0.53) CYP3A4CDK2NCEH1TSHRANO1
SCHEMBL12192755 0.75 CDK2 (0.56) CYP3A4CDK2TSHRKMT2AMEN1
SCHEMBL1287816 0.74 WDR5 (0.59) CYP3A4CDK2NCEH1TSHRALDH1A1
SCHEMBL1646973 0.73 ALDH1A1 (0.41) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL31388678 0.73 TSHR (0.55) CYP3A4NCEH1TSHRALDH1A1KMT2A
SCHEMBL7170274 0.73 TSHR (0.55) CYP3A4NCEH1TSHRALDH1A1KMT2A

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-7056929-B2 Benzo[b]pyrano[3,2-h]acridin-7-one compounds LES LABORATOIRES SERVIER (FR) 2006-06-06 — — US disclosed
US-20040063702-A1 Benzo[b]pyrano[3,2-h]acridin-7-one compounds LES LABORATOIRES SERVIER (FR) 2004-04-01 — — US disclosed
US-6642248-B2 Antitumor, anticancer agent LES LABORATORIES SERVIER (FR) 2003-11-04 — — US disclosed
US-20030073841-A1 New benzo [b] pyrano [3,2-h] acridin-7-one compounds LES LABORATOIRES SERVIER (FR) 2003-04-17 — — 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 (2 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-20040063702-A1 Benzo[b]pyrano[3,2-h]acridin-7-one compounds OXGR1, OXER1, CBR1 CYP3A4 1557/4885CDK2 3273/4885NCEH1 448/4885
US-20030073841-A1 New benzo [b] pyrano [3,2-h] acridin-7-one compounds OXGR1, OXER1, NAT1 CYP3A4 1270/4885CDK2 2194/4885NCEH1 388/4885

“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.

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