SCHEMBL958613

SCHEMBL958613

Cc1cc2nc(COc3ccc(Cl)cc3Cl)cc(O)n2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.50
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.44
S1PR4 O95977 7/20 0.44
DPP4 P27487 1/20 0.43
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL955091 0.87 FFAR1 (0.49) HPGDNPC1LMNARAB9ASMN1; SMN2
SCHEMBL956573 0.76 FFAR1 (0.50) LMNARAB9A
SCHEMBL956425 0.72 KDM4E (0.39) NPC1DPP4SMN1; SMN2
SCHEMBL956589 0.72 FFAR1 (0.37)
SCHEMBL3344200 0.72 MAPT (0.43) NPC1DPP4RAB9ASMN1; SMN2
SCHEMBL3339372 0.71 PTGDR2 (0.40) NPC1DPP4RAB9ASMN1; SMN2
SCHEMBL8288272 0.71 MRGPRX4 (0.64) MRGPRX4HPGDNPC1S1PR4LMNA
SCHEMBL12098175 0.67 ALDH1A1 (0.49) MRGPRX4HPGDNPC1S1PR4LMNA
SCHEMBL22480484 0.67 MRGPRX4 (1.00) MRGPRX4S1PR4
SCHEMBL3338701 0.66 CXCR2 (0.40) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 MRGPRX4 37/4885HPGD 488/4885NPC1 2728/4885

“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.