SCHEMBL7590100

SCHEMBL7590100

CCc1c(C(=O)O)ccc(NC(=O)CCc2ccccc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ HCAR2 Q8TDS4 3/20 0.43
▸ RAB9A P51151 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PLAAT3 P53816 1/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT2 Q9NWW9 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38

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
SCHEMBL7593528 0.84 RAB9A (0.42) MEN1KMT2AMAPTPLA2G1BATG4B
SCHEMBL7593086 0.80 KMT2A (0.48) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL7598678 0.79 L3MBTL1 (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7593462 0.76 KMT2A (0.50) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7598674 0.76 KMT2A (0.47) KMT2AMAPTRAB9AALDH1A1NPC1
SCHEMBL27519917 0.75 HCAR2 (0.69) MEN1KMT2AHCAR2RAB9AALDH1A1
SCHEMBL8977186 0.73 GRIN2D (0.40) MEN1KMT2AMAPTRORCALDH1A1
SCHEMBL27573107 0.73 KDM4E (0.59) MEN1KMT2AMAPTHCAR2RAB9A
SCHEMBL27549742 0.73 TRPM4 (0.61) MEN1KMT2AHCAR2RAB9AALDH1A1
SCHEMBL7594876 0.73 ALDH1A1 (0.41) MEN1KMT2AMAPTPLA2G1BATG4B

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 2 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

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 MEN1 1677/4885KMT2A 1590/4885MAPT 4390/4885

“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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