SCHEMBL3155237

SCHEMBL3155237

COC(=O)c1c(F)cccc1Oc1ncccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CARM1 Q86X55 2/20 0.40
BDKRB1 P46663 1/20 0.40
MAPK8 P45983 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
ADORA2A P29274 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL3163248 0.81 ALDH1A1 (0.59) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL4909376 0.81 CCR2 (0.49) RAB9AABL1SRCJAK1TYK2
SCHEMBL1135451 0.79 TDP1 (0.59) TDP1MAPTNPC1RAB9AALDH1A1
SCHEMBL1340917 0.77 HTR1A (0.52) MAPTNPC1RAB9AMAPK8ALDH1A1
SCHEMBL1489210 0.77 CA12 (0.52) RAB9ABDKRB1ALDH1A1CFTRHSD17B10
SCHEMBL3116291 0.74 KMT2A (0.58) NPC1RAB9AABL1SRCKMT2A
SCHEMBL6832431 0.74 KDM4E (0.61) TDP1NPC1RAB9AHSD17B10KMT2A
SCHEMBL20239604 0.72 LMNA (0.46) BDKRB1ALDH1A1HSD17B10KMT2ACA12
SCHEMBL1070351 0.72 CA12 (0.61) RAB9ABDKRB1ALDH1A1KMT2ACA12
SCHEMBL1586686 0.71 BDKRB1 (0.53) NPC1RAB9ABDKRB1CA12CA1

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-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 TDP1 905/4885MAPT 3475/4885NPC1 2764/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 TDP1 905/4885MAPT 3475/4885NPC1 2764/4885

“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.