SCHEMBL7591708

SCHEMBL7591708

N#Cc1ccccc1-c1ccc(CCC(=O)Nc2cc(C(=O)O)ccc2CC[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.47
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
HCAR2 Q8TDS4 12/20 0.43
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
MME P08473 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL7591697 0.83 LTB4R (0.48) LTB4RFFAR1AKR1B1HCAR2RAB9A
SCHEMBL7600452 0.78 LTB4R (0.48) LTB4RFFAR1RAB9AGAAMAPT
SCHEMBL7591701 0.77 LTB4R2 (0.41) FFAR1AKR1B1MME
SCHEMBL6170130 0.75 MAPT (0.48) LTB4RFFAR1AKR1B1RAB9AGAA
SCHEMBL5303240 0.75 RAB9A (0.56) FFAR1AKR1B1HCAR2RAB9AMME
SCHEMBL7596215 0.74 ALDH1A1 (0.51) LTB4RMAPTPOLBLMNA
SCHEMBL5298682 0.73 HCAR2 (0.54) FFAR1AKR1B1HCAR2RAB9AMME
SCHEMBL7916874 0.72 HCAR3 (0.59) RAB9AGAAMAPTPOLBSMN1; SMN2
SCHEMBL7593521 0.70 ALDH1A1 (0.47) GAAMAPTPOLBSMN1; SMN2LMNA
SCHEMBL7591464 0.70 LTB4R (0.51) LTB4RHCAR2RAB9AGAAMAPT

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 LTB4R 1803/4885FFAR1 4696/4885AKR1B1 1698/4885

“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.