SCHEMBL7595232

SCHEMBL7595232

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(=O)CCCCc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7591625 0.89 RAB9A (0.40) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL7593569 0.87 RAB9A (0.54) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL7590091 0.86 TSHR (0.40) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL7593005 0.82 ALDH1A1 (0.43) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7596958 0.82 KDM4E (0.46) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL7593040 0.82 MAPT (0.45) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL7598810 0.81 RAB9A (0.56) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL7593528 0.81 RAB9A (0.42) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL7592927 0.80 RAB9A (0.43) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL7597829 0.80 RAB9A (0.51) RAB9ANPC1HDAC1HDAC2GAA

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 RAB9A 3277/4885NPC1 827/4885HDAC3 250/4885

“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.