SCHEMBL6913787

SCHEMBL6913787

Cc1nn(C)c(Cl)c1NC(=O)Cc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
RECQL P46063 1/20 0.55
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
NR2E1 Q9Y466 1/20 0.50
KCNJ5 P48544 3/20 0.48
KCNJ3 P48549 3/20 0.48
P2RX7 Q99572 1/20 0.46
LMNA P02545 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNJ6 P48051 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLS O94925 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL31277112 0.75 KCNJ5 (0.50) NPC1RAB9ANR2E1KCNJ5KCNJ3
SCHEMBL26789810 0.75 TSHR (0.53) SMN1; SMN2CYP1A2CYP2C19CYP3A4RECQL
SCHEMBL4215163 0.73 NPC1 (0.54) NPC1RAB9ANR2E1KCNJ5KCNJ3
SCHEMBL12284882 0.73 KCNJ5 (0.53) NPC1RAB9AHTTKCNJ5KCNJ3
SCHEMBL30794694 0.70 MAPT (0.50) NPC1RAB9ASMN1; SMN2HTTKCNJ5
SCHEMBL2438404 0.70 MAPT (0.50) NPC1RAB9ASMN1; SMN2HTTKCNJ5
SCHEMBL6393799 0.70 NPC1 (0.56) NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4
SCHEMBL10989847 0.69 ANO1 (0.57) NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4
SCHEMBL30502369 0.69 KCNJ5 (0.68) NPC1RAB9ASMN1; SMN2CYP3A4KCNJ5
SCHEMBL96174 0.69 KCNJ5 (0.68) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043904-A1 N-(4-pyrazolyl) amide derivatives, chemicals for agricultural and horticultural use, and usage of the same NIHON NOHYAKU CO., LTD. (JP) 2004-03-04 US disclosed
EP-1319657-A1 N-(4-PYRAZOLYL)AMIDE DERIVATIVES, CHEMICALS FOR AGRICULTURAL AND HORTICULTURAL USE, AND USAGE OF THE SAME Nihon Nohyaku Co., Ltd. (JP) 2003-06-18 EP 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-20040043904-A1 N-(4-pyrazolyl) amide derivatives, chemicals for agricultural and horticultural use, and usage of the same CBR3, CYP8B1, CBR1 NPC1 1234/4885RAB9A 3798/4885SMN1; SMN2 4324/4885

“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.