SCHEMBL13969804

SCHEMBL13969804

CNCc1cccc(Oc2cccc(CF)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ NOS1 P29475 3/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ PRMT6 Q96LA8 6/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ FFAR1 O14842 3/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL1351804 0.86 KDM4E (0.62) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL23229951 0.83 PRMT6 (0.59) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL24061764 0.83 CHRM2 (0.60) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948896 0.81 ALDH1A1 (0.70) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948897 0.81 MMP13 (0.56) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948894 0.81 MRGPRX4 (0.52) KDM4EMEN1KMT2APRMT6MAPT
SCHEMBL16270473 0.81 NOS1 (0.50) KDM4ECHRM2CHRM1CHRM3NOS1
SCHEMBL13948890 0.80 ALDH1A1 (0.55) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL11090830 0.80 KDM4E (0.50) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL29370584 0.78 CHRM2 (0.68) KDM4EALDH1A1HTTSMN1; SMN2MEN1

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-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof REXAHN PHARMACEUTICALS, INC. (US) 2009-01-29 — — US disclosed
US-7388014-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-06-17 — — 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-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof ABL1, NQO2, NRAS KDM4E 4060/4885ALDH1A1 2085/4885HTT 2904/4885

“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.

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