SCHEMBL3596711

SCHEMBL3596711

COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
NNMT P40261 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
P4HTM Q9NXG6 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PTPN1 P18031 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAOB P27338 2/20 0.49
CXCR1 P25024 1/20 0.49
CXCR2 P25025 1/20 0.49
PABPC1 P11940 1/20 0.49
RORC P51449 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL3788719 0.82 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1845700 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2NNMTMEN1
SCHEMBL791143 0.77 RAB9A (0.69) RAB9ANPC1KMT2ACXCR1CXCR2
SCHEMBL14516103 0.76 NNMT (0.64) RAB9ANPC1SMN1; SMN2NNMTMEN1
SCHEMBL774954 0.76 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19160078 0.75 NNMT (0.68) RAB9ANPC1SMN1; SMN2NNMTMEN1
SCHEMBL2302037 0.75 KCNQ3 (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3787033 0.75 NPC1 (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23330872 0.75 MEN1 (0.48) RAB9ANPC1SMN1; SMN2NNMTMEN1
SCHEMBL13989051 0.75 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP claimed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 WO claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 RAB9A 2718/4885NPC1 586/4885SMN1; SMN2 3405/4885

“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.