SCHEMBL6411595

SCHEMBL6411595

CC(=O)N(C)Cc1ccc(F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.42
PDK2 Q15119 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DAO P14920 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
METAP2 P50579 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5239308 0.80 FFAR1 (0.41) MEN1KMT2AFFAR1DAOGAA
SCHEMBL6415769 0.80 RIPK1 (0.62) RIPK1MEN1KMT2AATMALDH1A1
SCHEMBL27623310 0.79 HMGB1 (0.41) MEN1KMT2AKDM4EMETAP2
SCHEMBL6418789 0.79 KDM4E (0.38) RIPK1MEN1KMT2AATMFFAR1
SCHEMBL6418792 0.79 KDM4E (0.38) RIPK1MEN1KMT2AATMFFAR1
SCHEMBL23972323 0.77 CYP1A2 (0.62) ATMPOLBMETAP2CYP1A2CYP2D6
SCHEMBL9313621 0.77 CDK4 (0.51) RIPK1MEN1KMT2AATMMAPT
SCHEMBL6414135 0.75 KMT2A (0.36) RIPK1MEN1KMT2AATMFFAR1
SCHEMBL3594395 0.74 TDP1 (0.56) MEN1KMT2AFFAR1ALDH1A1KDM4E
SCHEMBL8429673 0.73 DAO (0.46) FFAR1ALDH1A1DAOMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
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
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN 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 RIPK1 3528/4885PDK2 3322/4885MEN1 4741/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885PDK2 3986/4885MEN1 4837/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885PDK2 3986/4885MEN1 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.