SCHEMBL7598674

SCHEMBL7598674

CCc1c(C(=O)O)ccc(NC(C)=O)c1[N+](=O)[O-].c1cc2ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL7593462 0.96 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EHSD17B10NPSR1
SCHEMBL7593086 0.84 KMT2A (0.48) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL7941828 0.80 TP53 (0.43) SMN1; SMN2ALDH1A1HPGDMAPTNPC1
SCHEMBL7598678 0.79 L3MBTL1 (0.52) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL15774437 0.79 HCAR3 (0.49) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5875056 0.78 KMT2A (0.47) KMT2ASMN1; SMN2KDM4EHSD17B10NPSR1
SCHEMBL7590100 0.76 MEN1 (0.45) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL15774462 0.75 PTGER4 (0.51) KMT2AKDM4EMAPTHCAR3L3MBTL1
SCHEMBL15774415 0.75 HCAR3 (0.55) KMT2AKDM4EPOLBALDH1A1LMNA
SCHEMBL10487749 0.75 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1MAPTHTT

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
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 — — US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 — — US disclosed
US-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 — — 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 KMT2A 1590/4885SMN1; SMN2 4367/4885KDM4E 2132/4885

“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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