SCHEMBL18332147

SCHEMBL18332147

CCOC(=O)c1cc2cc(C)c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
KDM4E B2RXH2 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
HSD17B10 Q99714 1/20 0.56
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MMP13 P45452 8/20 0.51
MMP2 P08253 6/20 0.51

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
SCHEMBL18131132 0.87 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL7681890 0.83 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL18332181 0.82 APEX1 (0.51) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL656156 0.79 KDM4E (0.67) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL394554 0.79 ALOX15 (0.64) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL4049040 0.78 ALOX15 (0.66) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL18332191 0.78 ALDH1A1 (0.63) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL9650786 0.77 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL13345538 0.77 KDM4E (0.63) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL1277858 0.76 RAB9A (0.52) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2

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-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 EP disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 US disclosed
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 US disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 EP disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 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 (2 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 ALDH1A1 1534/4885HPGD 4029/4885KDM4E 1788/4885
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 ALDH1A1 1534/4885HPGD 4029/4885KDM4E 1788/4885

“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.