SCHEMBL6413341

SCHEMBL6413341

CC(=O)N(Cc1ccc(F)cc1)C(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
TRPM8 Q7Z2W7 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.48
POLB P06746 1/20 0.45
RIPK1 Q13546 1/20 0.44
GABRA1 P14867 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL18711384 0.89 MEN1 (0.56) MEN1KMT2APOLBRIPK1RAB9A
SCHEMBL18711381 0.89 MEN1 (0.56) MEN1KMT2APOLBRIPK1RAB9A
SCHEMBL6418733 0.81 TDP1 (0.49) TDP1TRPM8MEN1KMT2ACYP3A4
SCHEMBL6418728 0.81 TDP1 (0.49) TDP1TRPM8MEN1KMT2ACYP3A4
SCHEMBL6417313 0.81 TDP1 (0.49) TDP1MEN1KMT2ARIPK1RAB9A
SCHEMBL6413118 0.78 TDP1 (0.45) TDP1TRPM8MEN1KMT2ACYP3A4
SCHEMBL6413113 0.78 TDP1 (0.45) TDP1TRPM8MEN1KMT2ACYP3A4
SCHEMBL17983755 0.76 RIPK1 (0.47) TDP1MEN1KMT2ARIPK1GABRA1
SCHEMBL18711382 0.75 MEN1 (0.54) TDP1TRPM8MEN1KMT2APOLB
SCHEMBL14180937 0.75 TDP1 (0.47) TDP1MEN1KMT2ACYP3A4CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 TDP1 1762/4885TRPM8 4659/4885MEN1 4741/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TDP1 863/4885TRPM8 4734/4885MEN1 4837/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TDP1 863/4885TRPM8 4734/4885MEN1 4837/4885

“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.