SCHEMBL12136378

SCHEMBL12136378

C(\Cc1ccccc1)=N/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
CYP2C9 P11712 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ARG2 P78540 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CALM1 P0DP23 1/20 0.38
MAOA P21397 1/20 0.36
BACE1 P56817 1/20 0.36
IDO1 P14902 4/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL2342516 1.00 MAOB (0.50) MAOBCYP2C9CA1CA2ARG2
SCHEMBL18947039 1.00 MAOB (0.50) MAOBCYP2C9CA1CA2ARG2
Aniline SCHEMBL7799247 0.90 TSHR (0.42) MAOBCYP2C9ALDH1A1MAOABACE1
SCHEMBL7590594 0.86 PTGS2 (0.44) MAOBCYP2C9ALDH1A1BACE1MEN1
SCHEMBL29220713 0.81 PTGS2 (0.48) MAOBALDH1A1BACE1IDO1MEN1
SCHEMBL15055472 0.81 CA2 (0.57) CA1CA2MEN1KMT2ATSHR
SCHEMBL15055409 0.81 LTA4H (0.52) MAOBALDH1A1MAPTKMT2ATSHR
SCHEMBL4466110 0.81 LTA4H (0.52) MAOBALDH1A1MAPTKMT2ATSHR
SCHEMBL10090559 0.79 ALDH1A1 (0.45) CYP2C9CA1CA2ALDH1A1MAOA
SCHEMBL7516473 0.79 ALDH1A1 (0.45) CYP2C9CA1CA2ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240249-A1 CYANINE DERIVATIVES AND RELATED USES ELEMENT BIOSCIENCES, INC. 2024-07-18 US disclosed
WO-2021153931-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-05 WO disclosed
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10940470-B2 Ylide-functionalised phosphanes for use in metal complexes and homogeneous catalysis UMICORE AG & CO. KG (DE) 2021-03-09 US disclosed
US-20200164354-A1 YLIDE-FUNCTIONALISED PHOSPHANES FOR USE IN METAL COMPLEXES AND HOMOGENEOUS CATALYSIS UMICORE AG & CO. KG (DE) 2020-05-28 US disclosed
WO-2019030304-A1 YLIDE-FUNCTIONALISED PHOSPHANES FOR USE IN METAL COMPLEXES AND HOMOGENEOUS CATALYSIS RUHR-UNIVERSITäT BOCHUM (DE) 2019-02-14 WO disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170340622-A1 METHOD OF DETECTING CANCER STEM CELL, METHOD OF SCREENING CANCER STEM CELL, AND METHOD OF INHIBITING CANCER STEM CELL CANON KK (JP) 2017-11-30 US disclosed
US-20170158718-A9 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-06-08 US disclosed
US-20160200746-A1 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME UNIV MINNESOTA (US) 2016-07-14 US disclosed
US-20160200746-A1 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME UNIV MINNESOTA (US) 2016-07-14 US disclosed
US-20150182518-A1 CANCER CELL INHIBITORY DRUG AND CANCER STEM-CELL DETECTION PROBE CANON KABUSHIKI KAISHA (JP) 2015-07-02 US disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-8309059-B2 Reactive cyanine compounds PROMEGA CORPORATION (US) 2012-11-13 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-20110287494-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVE DAICEL CHEMICAL INDUSTRIES LTD (JP) 2011-11-24 US disclosed
US-20110287494-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVE DAICEL CHEMICAL INDUSTRIES LTD (JP) 2011-11-24 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-20110053162-A1 REACTIVE CYANINE COMPOUNDS PROMEGA CORPORATION (US) 2011-03-03 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 (8 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-20110287494-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVE IMPDH1, RNGTT, IMPDH2 MAOB 7/4885CYP2C9 419/4885CA1 4858/4885
US-20170340622-A1 METHOD OF DETECTING CANCER STEM CELL, METHOD OF SCREENING CANCER STEM CELL, AND METHOD OF INHIBITING CANCER STEM CELL MKI67, KIT, ALDH1A1 MAOB 3824/4885CYP2C9 752/4885CA1 1223/4885
US-20110053162-A1 REACTIVE CYANINE COMPOUNDS IK, CRYAA, POLL MAOB 2273/4885CYP2C9 306/4885CA1 599/4885
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 MAOB 588/4885CYP2C9 1925/4885CA1 1422/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 MAOB 639/4885CYP2C9 1948/4885CA1 1439/4885
US-20150182518-A1 CANCER CELL INHIBITORY DRUG AND CANCER STEM-CELL DETECTION PROBE MKI67, ABCB1, CD44 MAOB 4078/4885CYP2C9 558/4885CA1 1020/4885
US-20160200746-A1 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME TERT, PIK3C3, TPI1 MAOB 268/4885CYP2C9 496/4885CA1 876/4885
US-20170158718-A9 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME TERT, PIK3C3, TPI1 MAOB 268/4885CYP2C9 496/4885CA1 876/4885

“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.