SCHEMBL12834660

SCHEMBL12834660

CC1=C(Cc2ccc(N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.49
▸ DRD2 P14416 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ ADRA1D P25100 3/20 0.44
▸ ADRA1A P35348 3/20 0.44
▸ ADRA1B P35368 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 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
SCHEMBL1506980 0.83 CHRNA7 (0.50) SIGMAR1ADRA1DADRA1AADRA1BMAPT
SCHEMBL12833649 0.82 TBXAS1 (0.55) MAPTLMNAKCNH2MEN1KMT2A
SCHEMBL1507049 0.79 TBXAS1 (0.51) MAPTLMNAKCNH2MEN1KMT2A
SCHEMBL18965735 0.77 DRD4 (0.70) DRD4DRD2LMNANR1I2ADORA3
SCHEMBL12833645 0.71 TBXAS1 (0.54) MAPTLMNAKCNH2MEN1KMT2A
SCHEMBL1507058 0.71 DRD4 (0.43) DRD4ADRA1DMAPTLMNAKMT2A
SCHEMBL10766541 0.70 MAPT (0.63) DRD4DRD2SIGMAR1MAPTLMNA
SCHEMBL1044315 0.70 KCNH2 (0.58) DRD4DRD2HTR2AHTR2CHTR2B
SCHEMBL12833640 0.69 MAPT (0.62) MAPTLMNABCHEKCNH2MEN1
SCHEMBL12761935 0.69 TBXAS1 (0.60) MAPTLMNAKCNH2MEN1KMT2A

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-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 — — EP disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 — — US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 — — US disclosed
EP-2505583-A1 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents Centre National de la Recherche Scientifique (FR) 2012-10-03 — — EP disclosed
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-10 — — 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-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS NQO1, AOX1, CYP4X1 DRD4 4023/4885DRD2 4158/4885HTR2A 3618/4885
US-20110059972-A1 1,4-NAPHTHOQUINONES DERIVATIVES AND THERAPEUTIC USE THEREOF NQO1, NDUFV2, RECQL DRD4 4486/4885DRD2 4764/4885HTR2A 3836/4885

“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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