SCHEMBL10020899

SCHEMBL10020899

Clc1nccc2c1[nH]c1ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
MAPK1 P28482 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
GABRP O00591 1/20 0.64
GABRD O14764 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
GABRA1 P14867 1/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
GABRB1 P18505 1/20 0.64
GABRG2 P18507 1/20 0.64
NFKB1 P19838 1/20 0.64
MAOA P21397 1/20 0.64

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
SCHEMBL27817460 0.81 TDO2 (0.80) TDO2KDM4EMAPTALDH1A1MEN1
SCHEMBL30931446 0.80 KIF11 (0.51) TDO2KDM4EMAPTALDH1A1MEN1
SCHEMBL30931448 0.80 KIF11 (0.51) TDO2KDM4EMAPTALDH1A1MEN1
Harman SCHEMBL141723 0.78 MAOA (1.00) TDO2KDM4EMAPTALDH1A1MEN1
Harman SCHEMBL29630272 0.78 MAOA (1.00) TDO2KDM4EMAPTALDH1A1MEN1
SCHEMBL28902870 0.78 TDO2 (0.64) TDO2KDM4EMAPTALDH1A1MEN1
SCHEMBL1798020 0.78 TDO2 (0.64) TDO2KDM4EMAPTALDH1A1MEN1
Harman SCHEMBL9480937 0.78 MAOA (1.00) TDO2KDM4EMAPTALDH1A1MEN1
SCHEMBL21714667 0.78 TDO2 (0.64) TDO2KDM4EMAPTALDH1A1MEN1
SCHEMBL29543498 0.78 TDO2 (0.64) TDO2KDM4EMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107260710-B Application of cedrol in preparation of medicine for promoting hair growth and relieving alopecia 辽宁新中现代医药有限公司 2019-12-13 CN disclosed
CN-103992336-A Oxa- or thio-evodiamine anti-tumor derivatives and preparation method thereof UNIV PLA 2ND MILITARY MEDICAL 2014-08-20 CN disclosed
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2012-02-23 US disclosed
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2012-02-23 US disclosed
US-8030520-B2 Process for preparing organic compounds by a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halide SALTIGO GMBH (DE) 2011-10-04 US disclosed
US-8030520-B2 Process for preparing organic compounds by a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halide SALTIGO GMBH (DE) 2011-10-04 US disclosed
EP-2107047-B1 Method for producing organic compounds by means of a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halogenide SALTIGO GMBH (DE) 2011-09-28 EP disclosed
EP-2107047-A1 Method for producing organic compounds by means of a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halogenide Saltigo GmbH (DE) 2009-10-07 EP disclosed
US-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2009-10-01 US disclosed
US-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2009-10-01 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-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE MLX, PYM1, CBR3 TDO2 134/4885KDM4E 2048/4885MAPT 4447/4885
US-20120046471-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE TIMCC, ZFX, TSNAX TDO2 627/4885KDM4E 208/4885MAPT 2614/4885

“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.