SCHEMBL16990685

SCHEMBL16990685

O=C(NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 2/20 0.54
MAOB P27338 1/20 0.54
P2RX3 P56373 1/20 0.53
CSF1R P07333 1/20 0.52
NAMPT P43490 6/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RAF1 P04049 3/20 0.48
CYP3A4 P08684 1/20 0.48
EPHX2 P34913 1/20 0.48
MAPK14 Q16539 1/20 0.47
HIPK4 Q8NE63 1/20 0.46

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
SCHEMBL15574560 0.90 NPC1 (0.58) RAB9APOLBNPC1MAOBCSF1R
SCHEMBL15574712 0.89 RAF1 (0.64) P2RX3CSF1RRAF1EPHX2MAPK14
SCHEMBL16990647 0.85 RAB9A (0.52) RAB9AP2RX3CSF1RRAF1EPHX2
SCHEMBL16990602 0.85 MEN1 (0.50) RAB9ANPC1P2RX3NAMPTMAPK14
SCHEMBL15575210 0.85 NAMPT (0.51) RAB9APOLBNPC1P2RX3CSF1R
SCHEMBL16990674 0.84 KDR (0.47) RAB9ANPC1P2RX3NAMPTRAF1
SCHEMBL15573250 0.84 NAMPT (0.67) RAB9APOLBNPC1MAOBNAMPT
SCHEMBL15574258 0.83 NAMPT (0.59) RAB9ANPC1NAMPTSMN1; SMN2RAF1
SCHEMBL16990598 0.83 MEN1 (0.52) RAB9APOLBNPC1P2RX3NAMPT
SCHEMBL16990607 0.83 MEN1 (0.53) P2RX3CSF1RRAF1EPHX2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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 (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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 RAB9A 3723/4885POLB 3563/4885NPC1 4492/4885

“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.