SCHEMBL3986674

SCHEMBL3986674

CN1CCn2c(Br)c(C(=O)N(Cc3ccc(F)cc3)NC(=O)O)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
MAPK14 Q16539 1/20 0.35
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC1A5 Q15758 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
GRM5 P41594 2/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL3984614 0.91 AKT1 (0.42) KMT2ASMN1; SMN2POLBRECQLMAPK14
SCHEMBL3984184 0.87 KMT2A (0.38) KMT2ASMN1; SMN2POLBRECQLMAPK14
SCHEMBL3983699 0.82 POLB (0.39) KMT2ASMN1; SMN2POLBRECQLMMP13
SCHEMBL3984185 0.81 LMNA (0.40) SMN1; SMN2POLBRECQLMAPK14LMNA
SCHEMBL3987589 0.77 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL5139036 0.74 SLC6A9 (0.34) KMT2APOLBL3MBTL1MAPT
SCHEMBL3983481 0.74 AKT1 (0.41) KMT2ASMN1; SMN2POLBRECQLMMP13
SCHEMBL4744605 0.74 LMNA (0.45) KMT2ASMN1; SMN2POLBMMP13LMNA
SCHEMBL4748890 0.73 S1PR3 (0.41) DRD2DRD3
SCHEMBL3982597 0.73 LMNA (0.44) KMT2ASMN1; SMN2LMNAL3MBTL1NCOA3

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
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 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 (1 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP KMT2A 1226/4885SMN1; SMN2 4264/4885POLB 80/4885

“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.