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Sugi Predict / Compounds / SCHEMBL185113

SCHEMBL185113

SCHEMBL185113

C1=CC2=C(c3cccnc3)C3=NC(=C(c4cccnc4)C4=NC(=C(c5cccnc5)C5=NC(=C(c6cccnc6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 12/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP2A13 Q16696 1/20 0.41
▸ CYP2B6 P20813 4/20 0.40
▸ CYP2E1 P05181 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39

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
SCHEMBL7240131 0.89 AXL (0.42) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
SCHEMBL20240638 0.82 ALDH1A1 (0.35) CYP2A6CYP3A4ALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL8203837 0.81 CYP2A6 (0.62) CYP2A6ALDH1A1KDM4EMAPTHPGD
SCHEMBL7239834 0.80 NPC1 (0.52) ALDH1A1CYP1A2KDM4EMAPTHPGD
SCHEMBL14080751 0.77 NOTUM (0.52) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL27838898 0.77 NOTUM (0.52) ALDH1A1KDM4ELMNATP53MAPT
SCHEMBL2517442 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHPGDALOX15
SCHEMBL14562749 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHPGDALOX15
SCHEMBL7996476 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHPGDALOX15
SCHEMBL27979361 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHPGDALOX15

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606453-B1 PHOTOVOLTAIC CELL ASULAB SA (CH) 1997-06-04 — — EP claimed
US-5482570-A Photovoltaic cell ASULAB S.A. (CH) 1996-01-09 — — US claimed
US-12546743-B2 Electrochemical sensor and related methods UNIVERSITY OF SOUTH FLORIDA (US) 2026-02-10 — — US disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 — — EP disclosed
US-20230296554-A1 ELECTROCHEMICAL SENSOR AND RELATED METHODS UNIVERSITY OF SOUTH FLORIDA 2023-09-21 — — US disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 — — EP disclosed
US-10454037-B2 Organic semiconductor composition comprising a liquid medium BASF SE (DE) 2019-10-22 — — US disclosed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 — — US disclosed
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM BASF SE (DE) 2017-08-31 — — US disclosed
US-20170237005-A1 PROCESS FOR PREPARING A CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL BASF SE (DE) 2017-08-17 — — US disclosed
EP-3183757-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM BASF SE (DE) 2017-06-28 — — EP disclosed
EP-2008319-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-12-31 — — EP disclosed
WO-2009000831-A1 BROMINE-SUBSTITUTED RYLENE TETRACARBOXYLIC ACID DERIVATIVES, AND THE USE THEREOF BASF SE (DE) 2008-12-31 — — WO disclosed
WO-2009000756-A1 USE OF N,N'-BIS(1,1-DIHYDROPERFLUORO-C3-C5-ALKYL)PERYLENE-3,4:9,10-TETRACARBOXYLIC DIIMIDES BASF SE (DE) 2008-12-31 — — WO disclosed
EP-1987092-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-11-05 — — EP disclosed
WO-2008113753-A1 METHOD FOR THE PRODUCTION OF RYLENE TETRACARBOXYLIC ACID DIIMIDES THE IMIDE NITROGENS OF WHICH CARRY HYDROGEN ATOMS AND THE USE THEREOF BASF SE (DE) 2008-09-25 — — WO disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 — — WO disclosed
WO-2007116001-A2 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-10-18 — — WO disclosed
WO-2007093643-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-08-23 — — WO disclosed
US-6730666-B1 INHIBITION OF GROWTH FACTOR TYROSINE KINASE RECEPTOR ACTIVITY, PARTICULARLY INHIBITION OF ANGIOGENESIS AND RELATED DISORDERS, TUMOR PROGRESSION AND GROWTH FACTOR RELATED SKELETAL DISORDERS, BY PORPHYRIN AND CORROLE COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-05-04 — — 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 (4 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-12546743-B2 Electrochemical sensor and related methods EPX, MUC1, EPCAM CYP2A6 3617/4885CYP3A4 1275/4885ALDH1A1 1683/4885
US-20170250347-A1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING A LIQUID MEDIUM CRY1, NEFM, OR10J3 CYP2A6 4140/4885CYP3A4 3807/4885ALDH1A1 4298/4885
US-10454037-B2 Organic semiconductor composition comprising a liquid medium CRY1, NEFM, OR10J3 CYP2A6 4140/4885CYP3A4 3807/4885ALDH1A1 4298/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR CYP2A6 2194/4885CYP3A4 447/4885ALDH1A1 4757/4885

“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.