SCHEMBL3821037

SCHEMBL3821037

Cc1ccccc1-c1nnc(CN)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 10/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
HPGD P15428 6/20 0.67
CASP3 P42574 2/20 0.67
SENP8 Q96LD8 2/20 0.67
SENP7 Q9BQF6 2/20 0.67
SENP6 Q9GZR1 2/20 0.67
NOTUM Q6P988 1/20 0.59
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 4/20 0.57
ALDH1A1 P00352 2/20 0.57
EGFR P00533 2/20 0.53
ERBB2 P04626 1/20 0.53
HSD17B10 Q99714 2/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL3821103 0.86 NPC1 (0.56) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL11920156 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL7756394 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL18901291 0.79 NOTUM (0.59) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL3826961 0.79 HPGD (0.61) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL3828361 0.79 PTK2 (0.57) RAB9ANPC1SMN1; SMN2HPGDNOTUM
SCHEMBL13170400 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL10034982 0.76 RAB9A (0.80) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL4652480 0.74 NOTUM (1.00) RAB9ANPC1SMN1; SMN2HPGDNOTUM
SCHEMBL11816118 0.73 NPC1 (0.62) RAB9ANPC1SMN1; SMN2HPGDCASP3

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 RAB9A 4343/4885NPC1 2552/4885SMN1; SMN2 4002/4885

“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.