SCHEMBL3826537

SCHEMBL3826537

NC(=O)c1nnc(Cc2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 3/20 0.51
TSHR P16473 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
KLKB1 P03952 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 2/20 0.48
POLB P06746 2/20 0.48
TTR P02766 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 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
SCHEMBL29012435 0.88 RAB9A (0.53) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL553755 0.86 RAB9A (0.54) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL20658152 0.85 CYP17A1 (0.47) KLKB1MAPTTHRBPOLBL3MBTL1
Lithium SCHEMBL30440723 0.85 RAB9A (0.53) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL30578717 0.84 POLB (0.63) SMN1; SMN2HPGDNPC1LMNAMAPT
SCHEMBL19228547 0.83 TSHR (0.52) RAB9ASMN1; SMN2HPGDNPC1TSHR
Lithium Ion SCHEMBL23070401 0.82 RAB9A (0.50) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL19228605 0.81 MAPT (0.58) SMN1; SMN2KLKB1LMNAMAPTTHRB
SCHEMBL19805436 0.81 NPSR1 (0.56) RAB9ASMN1; SMN2HPGDNPC1TSHR
SCHEMBL27998064 0.78 RAB9A (0.70) RAB9ASMN1; SMN2HPGDNPC1TSHR

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 5 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
CN-119775180-A Derivative containing chiral thioether and sulfone units, and preparation method and application thereof 贵州大学 2025-04-08 CN disclosed
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

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 4343/4885SMN1; SMN2 4002/4885HPGD 675/4885

“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.