SCHEMBL812478

SCHEMBL812478

Cc1nc2c(C)c3nc(C)c(C)nc3c(C)c2nc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HKDC1 Q2TB90 1/20 0.32

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
SCHEMBL20174191 0.88 NQO2 (0.33) NQO2MAPTLMNAKDM4EALDH1A1
SCHEMBL76929 0.88 MAPT (0.33) NQO2MAPTLMNAKDM4EALDH1A1
SCHEMBL3874742 0.82 MAPT (0.38) NQO2MAPTLMNAKDM4EALDH1A1
SCHEMBL768983 0.82 MEN1 (0.31) MAPT
SCHEMBL26826367 0.80 IDO1 (0.32) ALDH1A1
SCHEMBL16501144 0.80 ADORA2A (0.31) MAPTALDH1A1
SCHEMBL15339507 0.73 HTT (0.37) NQO2MAPTKDM4EALDH1A1
Ligustrazine SCHEMBL77624 0.71 LMNA (0.41) LMNAKDM4EALDH1A1
Ligustrazine SCHEMBL27509607 0.71 LMNA (0.41) LMNAKDM4EALDH1A1
SCHEMBL78377 0.70 IDO1 (0.32)

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
US-9809594-B2 Non-fullerene electron acceptors for organic photovoltaic devices UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-11-07 US disclosed
US-20170057962-A1 NON-FULLERENE ELECTRON ACCEPTORS FOR ORGANIC PHOTOVOLTAIC DEVICES UNIVERSITY OF WASHINGTON (US) 2017-03-02 US disclosed
US-20130027636-A1 CLASS OF BRIDGED BIPHENYLENE POLYMERS SUMITOMO CHEMICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-20120010359-A1 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-8052894-B2 Salicylate substituted conjugated polymers and devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-08 US disclosed
US-20090001324-A1 Salicylate Substituted Conjugated Polymers and Devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 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 (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-20090001324-A1 Salicylate Substituted Conjugated Polymers and Devices TLR9, TLR5, TLR1 NQO2 4316/4885MAPT 342/4885LMNA 3776/4885
US-20170057962-A1 NON-FULLERENE ELECTRON ACCEPTORS FOR ORGANIC PHOTOVOLTAIC DEVICES VDAC1, SLC19A1, SLC46A1 NQO2 530/4885MAPT 1574/4885LMNA 4109/4885

“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.