SCHEMBL3828281

SCHEMBL3828281

Cc1nc(Cc2ccccc2)oc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 4/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
S1PR1 P21453 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
KLKB1 P03952 1/20 0.36

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
Hydrochloric Acid SCHEMBL3825397 0.98 MEN1 (0.43) MEN1KMT2AELANESMN1; SMN2RAB9A
SCHEMBL3822116 0.85 MAPT (0.49) SMN1; SMN2RAB9ANPC1TP53ALDH1A1
SCHEMBL14019472 0.83 MEN1 (0.44) MEN1KMT2AELANESMN1; SMN2RAB9A
SCHEMBL14019458 0.83 MEN1 (0.44) MEN1KMT2AELANESMN1; SMN2RAB9A
SCHEMBL3822441 0.81 TSHR (0.44) SMN1; SMN2ALDH1A1TSHRL3MBTL1LOXL2
SCHEMBL14702235 0.79 MEN1 (0.49) MEN1KMT2AELANESMN1; SMN2RAB9A
SCHEMBL3825885 0.76 RAB9A (0.44) MEN1KMT2ASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL3820088 0.75 RAB9A (0.43) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL3828568 0.73 LTB4R (0.41) ELANESMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3828276 0.73 MEN1 (0.44) MEN1KMT2AELANEHPGDLMNA

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 MEN1 3728/4885KMT2A 3325/4885ELANE 2415/4885

“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.