SCHEMBL1913166

SCHEMBL1913166

CCc1cc2ncc(C(=O)O)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 7/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 1/20 0.36
ALPL P05186 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALKBH1 Q13686 1/20 0.35
SLC2A1 P11166 1/20 0.35
SRD5A2 P31213 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35

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
SCHEMBL868834 0.90 DPP4 (0.39) MARS1NPC1RAB9ATGFBR1ALPL
SCHEMBL1913168 0.87 MAPT (0.44) NPC1RAB9APOLBTGFBR1DPP4
SCHEMBL337927 0.82 IDO1 (0.39) NPC1MEN1POLBKMT2A
SCHEMBL1913155 0.82 CRHR1 (0.36) NPC1MEN1KMT2ADPP4DPP8
SCHEMBL1913174 0.82 DPP4 (0.38) MEN1KMT2ADPP4DPP8
SCHEMBL340135 0.76 DPP4 (0.42) ALPLSLC2A1DPP4DPP8
SCHEMBL339827 0.75 DPP4 (0.43) NPC1RAB9AMEN1KMT2AALPL
SCHEMBL339904 0.75 ALPL (0.46) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL1913178 0.75 PAK3 (0.41) CYP2C9DPP4
SCHEMBL1913165 0.75 CRHR1 (0.42) NPC1RAB9AMEN1CYP2C9KMT2A

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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC MARS1 2908/4885NPC1 605/4885RAB9A 4708/4885

“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.