SCHEMBL6771541

SCHEMBL6771541

COc1cccc(CNC(=O)C2(CCCCBr)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.50
RAB9A P51151 1/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
FBP1 P09467 1/20 0.45

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
SCHEMBL6772135 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2EPHX2
SCHEMBL5863883 0.84 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL7596015 0.84 MMP13 (0.48) MMP13RAB9AHPGDLMNAALDH1A1
SCHEMBL6777758 0.81 P2RX7 (0.46)
SCHEMBL6771867 0.80 ALDH1A1 (0.46) RAB9AHPGDLMNAALDH1A1HTT
SCHEMBL6766560 0.79 POLB (0.45) RAB9ALMNAALDH1A1
SCHEMBL6771422 0.78 HTT (0.44) MMP13ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL6771465 0.78 MTTP (0.47)
SCHEMBL5863393 0.77 MTTP (0.47)
SCHEMBL6769811 0.76 DRD3 (0.51)

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-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A MMP13 3770/4885RAB9A 3175/4885HPGD 1438/4885

“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.