SCHEMBL6771507

SCHEMBL6771507

CCCCNC(=O)c1ccc([N+](=O)[O-])cc1C#CC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALOX12 P18054 1/20 0.46
MGLL Q99685 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TBXA2R P21731 2/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6778272 0.79 TAS1R3 (0.42) MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL6778269 0.79 TAS1R3 (0.42) MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL27452022 0.79 SMN1; SMN2 (0.57) MAPTALOX12MGLLNPC1RAB9A
SCHEMBL11937519 0.78 NPC1 (0.54) MAPTALOX12MGLLNPC1RAB9A
SCHEMBL26757997 0.78 MGLL (0.54) MAPTALOX12MGLLNPC1RAB9A
SCHEMBL6776859 0.78 ALDH1A1 (0.53) MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6268455 0.77 NPC1 (0.53) MAPTALOX12MGLLNPC1RAB9A
SCHEMBL28860063 0.77 SMN1; SMN2 (0.60) MAPTALOX12MGLLNPC1RAB9A
SCHEMBL8384101 0.77 MGLL (0.53) MAPTALOX12MGLLNPC1RAB9A
SCHEMBL6771753 0.77 HTT (0.44) MAPTSMN1; SMN2HTTALDH1A1LMNA

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-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 MAPT 4674/4885ALOX12 1336/4885MGLL 144/4885

“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.