SCHEMBL6413264

SCHEMBL6413264

COC(=O)/C(O)=C/C(=O)N(C)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ATM Q13315 1/20 0.50
RIPK1 Q13546 2/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIPE Q05469 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ACKR3 P25106 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCL8 P10145 1/20 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
SCHEMBL6413268 1.00 MEN1 (0.50) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6412451 0.86 ALDH1A1 (0.55) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6412449 0.86 ALDH1A1 (0.55) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6077547 0.86 ALDH1A1 (0.43) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6077550 0.86 ALDH1A1 (0.43) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6414133 0.85 KMT2A (0.36) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6414135 0.85 KMT2A (0.36) MEN1KMT2AATMRIPK1ALDH1A1
SCHEMBL6421220 0.84 TSHR (0.39) MEN1KMT2ARIPK1ALDH1A1RAB9A
SCHEMBL6413772 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1NPSR1RAB9A
SCHEMBL6421217 0.84 TSHR (0.39) MEN1KMT2ARIPK1ALDH1A1RAB9A

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 MEN1 4741/4885KMT2A 1208/4885ATM 2848/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885ATM 3183/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885ATM 3183/4885

“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.