SCHEMBL6415769

SCHEMBL6415769

CC(=O)N(C)Cc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.62
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.56
LIPE Q05469 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 2/20 0.45
AOC3 Q16853 1/20 0.44
MAOB P27338 1/20 0.44
TSPO P30536 1/20 0.43
HCAR3 P49019 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL26741942 0.81 RIPK1 (0.54) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14143465 0.81 RIPK1 (0.45) RIPK1ALDH1A1MEN1KMT2AATM
SCHEMBL17874132 0.81 MEN1 (0.76) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29912623 0.81 MEN1 (0.76) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6411595 0.80 RIPK1 (0.42) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13114704 0.79 HSP90AA1 (0.52) ALDH1A1KDM4EMEN1KMT2AMAOB
SCHEMBL13322844 0.79 AKR1B1 (0.48) RIPK1ALDH1A1MEN1KMT2ATDP1
SCHEMBL15224082 0.79 ALDH1A1 (0.47) RIPK1ALDH1A1MEN1KMT2ATDP1
SCHEMBL17882275 0.78 RIPK1 (0.62) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29912894 0.78 RIPK1 (0.55) RIPK1ALDH1A1KDM4EMEN1KMT2A

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 8 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
EP-0067080-B1 N-FLUORINATED BENZYL AMIDES AND PROCESS FOR THEIR PREPARATION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-11-21 EP 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 RIPK1 3528/4885ALDH1A1 1020/4885KDM4E 1795/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885ALDH1A1 239/4885KDM4E 847/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885ALDH1A1 239/4885KDM4E 847/4885

“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.