SCHEMBL789931

SCHEMBL789931

Cc1ccc(Oc2ccc(C(=O)Nc3cccnc3)cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.68
RAB9A P51151 8/20 0.62
NPC1 O15118 5/20 0.62
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62
GALR3 O60755 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
TNF P01375 1/20 0.57
NOD1 Q9Y239 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
CXCR1 P25024 1/20 0.55
CXCR2 P25025 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.53

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
SCHEMBL790020 0.91 RAB9A (0.75) RAB9ANPC1TP53RECQLGALR3
SCHEMBL790138 0.90 RAB9A (0.62) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL15093569 0.90 NAMPT (0.60) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL12978054 0.90 RAB9A (0.62) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL790679 0.88 CYP11B1 (0.68) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL791892 0.88 CYP11B1 (0.68) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL791144 0.88 RAB9A (0.60) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL789920 0.88 RAB9A (0.78) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL12978206 0.87 RAB9A (0.58) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL789622 0.85 RAB9A (0.78) RAB9ANPC1TP53RECQLGALR3

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
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C NAMPT 4575/4885RAB9A 1112/4885NPC1 2203/4885

“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.