SCHEMBL5749569

SCHEMBL5749569

Cc1cc(N)c2cc3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP2A6 P11509 3/20 0.47
TDP1 Q9NUW8 4/20 0.46
NCF1 P14598 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 4/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HBB P68871 1/20 0.40
HIF1A Q16665 1/20 0.40
HPRT1 P00492 1/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO1 P15559 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL4074691 0.83 CYP2A6 (0.61) CYP1A2CYP2A6TDP1NCF1ALDH1A1
Hydrochloric Acid SCHEMBL10628964 0.81 CYP2A6 (0.59) CYP1A2CYP2A6TDP1NCF1ALDH1A1
SCHEMBL598685 0.78 CYP1A2 (0.68) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL14742908 0.78 ALDH1A1 (0.54) TDP1NCF1ALDH1A1CYP3A4HSD17B10
SCHEMBL27996595 0.77 CYP1A2 (0.65) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL2763865 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL4928672 0.75 ALDH1A1 (0.40) CYP1A2CYP2A6TDP1NCF1ALDH1A1
SCHEMBL23808606 0.75 CYP1A2 (0.47) CYP1A2CYP2A6TDP1ALDH1A1CYP3A4
SCHEMBL11213754 0.75 CYP2A6 (0.46) CYP2A6TDP1NCF1ALDH1A1CYP3A4
SCHEMBL20664853 0.75 CYP1A2 (0.47) CYP1A2CYP2A6TDP1ALDH1A1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 US disclosed
CN-111644164-B Chromatographic material for separating unsaturated molecules 沃特世科技公司 2024-03-08 CN disclosed
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2021-01-28 US disclosed
CN-111644164-A Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2020-09-11 CN disclosed
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2020-08-18 US disclosed
CN-106457066-B Chromatographic materials for separating unsaturated molecules 沃特世科技公司 2020-08-14 CN disclosed
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2018-12-06 US disclosed
US-10092894-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2018-10-09 US disclosed
EP-3113857-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES Waters Technologies Corporation (US) 2017-01-11 EP disclosed
WO-2015134317-A9 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2016-08-04 WO disclosed
WO-2015134317-A1 CHROMOTOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2015-09-11 WO disclosed
US-20140319057-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2014-10-30 US disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP 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 (5 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-10092894-B2 Chromatographic materials for the separation of unsaturated molecules AHR, NR1H3, ARNT CYP1A2 669/4885CYP2A6 460/4885TDP1 4676/4885
US-20210023531-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES C9, EPHX2, ALOX5 CYP1A2 719/4885CYP2A6 539/4885TDP1 4724/4885
US-10744484-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP1A2 719/4885CYP2A6 539/4885TDP1 4724/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP1A2 719/4885CYP2A6 539/4885TDP1 4724/4885
US-20180345248-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES AHR, NR1H3, ARNT CYP1A2 669/4885CYP2A6 460/4885TDP1 4676/4885

“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.