SCHEMBL6421148

SCHEMBL6421148

CN(Cc1cccc(Cc2ccc(F)cc2)c1)C(=O)C=C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
RIPK1 Q13546 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
SCD5 Q86SK9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEP1B Q16820 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 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
SCHEMBL6421144 1.00 KMT2A (0.43) KMT2AMEN1TDP1RIPK1HSD17B1
SCHEMBL6420015 0.89 KMT2A (0.42) KMT2AMEN1TDP1RIPK1HSD17B1
SCHEMBL6420013 0.89 KMT2A (0.42) KMT2AMEN1TDP1RIPK1HSD17B1
SCHEMBL6412445 0.86 MEN1 (0.56) KMT2AMEN1RIPK1HSD17B1HSD17B2
SCHEMBL6412442 0.86 MEN1 (0.56) KMT2AMEN1RIPK1HSD17B1HSD17B2
SCHEMBL6419290 0.86 TDP1 (0.51) KMT2ATDP1RIPK1ALDH1A1LMNA
SCHEMBL6419288 0.86 TDP1 (0.51) KMT2ATDP1RIPK1ALDH1A1LMNA
SCHEMBL6417796 0.85 AOC3 (0.51) HSD17B1HSD17B2
SCHEMBL6417801 0.85 AOC3 (0.51) HSD17B1HSD17B2
SCHEMBL6414642 0.83 KMT2A (0.62) KMT2AMEN1TDP1ALDH1A1LMNA

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 5 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
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

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 KMT2A 1208/4885MEN1 4741/4885TDP1 1762/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KMT2A 1330/4885MEN1 4837/4885TDP1 863/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KMT2A 1330/4885MEN1 4837/4885TDP1 863/4885

“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.