SCHEMBL17483584

SCHEMBL17483584

Cc1ccc2nc3cccc(C)c3nc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.68
MAPT P10636 7/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
G6PD P11413 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
CASP6 P55212 1/20 0.45
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17483582 1.00 NQO2 (0.68) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL183009 0.84 NQO2 (0.57) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL20475248 0.82 MAPT (0.67) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL19532330 0.82 NQO2 (0.62) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL13456190 0.82 NQO2 (0.62) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL23612603 0.82 MAPT (0.67) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL13426064 0.82 NQO2 (0.47) NQO2MAPTRAB9AALDH1A1POLB
Bromide SCHEMBL11421481 0.82 NQO2 (0.55) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL4359997 0.82 NQO2 (1.00) NQO2MAPTRAB9AALDH1A1POLB
SCHEMBL20475325 0.82 RAB9A (0.53) NQO2MAPTRAB9AALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179392-A1 WHITE LIGHT EMISSION MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20160033489-A1 Haptenes and Conjugates Derived from Pyocyanin, Antibodies Thereof, and Immunichemical Method for Detecting Infections Caused by Pseudomonas Aeruginosa UNIVERSIDAD AUTONOMA DE BARCELONA (ES) 2016-02-04 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-20160033489-A1 Haptenes and Conjugates Derived from Pyocyanin, Antibodies Thereof, and Immunichemical Method for Detecting Infections Caused by Pseudomonas Aeruginosa HPD, HRH1, TLR5 NQO2 202/4885MAPT 3154/4885RAB9A 4352/4885

“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.