SCHEMBL6306259

SCHEMBL6306259

CC(O)c1cccnc1-n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.43
CYP1A2 P05177 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
TSHR P16473 3/20 0.43
CYP2A6 P11509 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
IDO1 P14902 1/20 0.39
ELANE P08246 1/20 0.39
CYP11B2 P19099 1/20 0.38
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP2D6 P10635 5/20 0.37
HSD17B10 Q99714 5/20 0.37
CYP2C19 P33261 4/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 3/20 0.37
ADRB2 P07550 2/20 0.37

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
SCHEMBL6949623 0.78 IDO1 (0.57) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL6301956 0.78 IDO1 (0.57) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL10757911 0.77 NOTUM (0.45) CYP3A4CYP1A2TDP1TSHRNCOA3
Hydrochloric Acid SCHEMBL10763399 0.77 CYP3A4 (0.38) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL8585682 0.75 IDO1 (0.58) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL11629347 0.72 NOTUM (0.42) CYP3A4CYP1A2TDP1TSHRIDO1
SCHEMBL20394478 0.71 CYP3A4 (0.46) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL22556880 0.71 LMNA (0.47) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL17788458 0.71 ADRA2C (0.40) CYP3A4CYP1A2TDP1TSHRCYP2A6
SCHEMBL22719451 0.70 MYC (0.54) CYP3A4CYP1A2TDP1TSHRCYP2A6

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-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP3A4 923/4885CYP1A2 893/4885TDP1 1709/4885

“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.