SCHEMBL11375444

SCHEMBL11375444

CCOc1cc(=O)n(C)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.69
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 1/20 0.59
ALDH1A1 P00352 6/20 0.58
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.56
NQO2 P16083 1/20 0.56
HPGD P15428 2/20 0.55
BRD4 O60885 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL11389662 0.88 KCNA3 (0.74) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11385254 0.86 KCNA3 (0.77) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11387758 0.85 KCNA3 (0.80) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11385072 0.84 KCNA3 (0.78) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11394549 0.84 KCNA3 (0.78) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL25493370 0.84 KCNA3 (0.78) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11377058 0.84 KCNA3 (0.78) KCNA3MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL11384828 0.83 KCNA3 (0.64) KCNA3SMN1; SMN2HTTALDH1A1TSHR
SCHEMBL18026627 0.83 KCNA3 (0.64) KCNA3SMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL16364135 0.82 KCNA3 (0.63) KCNA3SMN1; SMN2ALDH1A1TSHRHSD17B10

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
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
WO-2014205414-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-24 WO disclosed
EP-1273971-B1 Process for photopolymerization by exposure of a photosensitive lithographic printing plate FUJIFILM CORP (JP) 2010-02-10 EP disclosed
US-4273930-A INTERMEDIATES FOR THE 4-ALKOXY ANTIALLERGENS SANDOZ, INC. (US) 1981-06-16 US disclosed
US-4190659-A ANTIALLERGENS, ANTIHISTAMINES SANDOZ, INC. (US) 1980-02-26 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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO KCNA3 4046/4885MAPT 2660/4885SMN1; SMN2 1033/4885

“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.