SCHEMBL3462346

SCHEMBL3462346

O=C(C(Cl)Cl)n1nnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 10/20 0.58
AMY1A P0DUB6 10/20 0.58
GAA P10253 10/20 0.58
SI P14410 10/20 0.58
MGAM2 Q2M2H8 10/20 0.58
KMT2A Q03164 4/20 0.58
F2 P00734 1/20 0.58
HPGD P15428 1/20 0.58
SLC9A1 P19634 1/20 0.58
F12 P00748 5/20 0.56
DGAT1 O75907 1/20 0.56
KCNMA1 Q12791 1/20 0.54
FAAH O00519 1/20 0.53
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL15761538 0.83 FAAH (0.60) MGAMAMY1AGAASIMGAM2
SCHEMBL427058 0.80 GAA (0.64) MGAMAMY1AGAASIMGAM2
SCHEMBL706083 0.80 MGAM (0.68) MGAMAMY1AGAASIMGAM2
SCHEMBL4250719 0.80 GAA (0.68) MGAMAMY1AGAASIMGAM2
SCHEMBL1756653 0.78 DGAT1 (0.69) MGAMAMY1AGAASIMGAM2
SCHEMBL170673 0.78 GAA (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL6402628 0.77 GAA (0.55) MGAMAMY1AGAASIMGAM2
SCHEMBL17994057 0.77 GAA (0.55) MGAMAMY1AGAASIMGAM2
Ammonia Solution, Strong SCHEMBL3505685 0.77 GAA (0.69) MGAMAMY1AGAASIMGAM2
SCHEMBL10621117 0.77 GAA (0.64) MGAMAMY1AGAASIMGAM2

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-20220152211-A1 HYBRID CURCUMIN CONJUGATES AND METHODS OF USE THEREOF AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2022-05-19 US disclosed
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 EP disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 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-20220152211-A1 HYBRID CURCUMIN CONJUGATES AND METHODS OF USE THEREOF DHFR, CD44, MTHFD2 MGAM 3732/4885AMY1A 4845/4885GAA 2681/4885

“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.