SCHEMBL1071708

SCHEMBL1071708

COc1ccc(C2CN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.50
▸ KDM1A O60341 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ GID4 Q8IVV7 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ HTR2C P28335 1/20 0.43

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
SCHEMBL13452484 0.85 KDM1A (0.46) MAOAKDM1AMAOBCA12CA1
SCHEMBL5562690 0.85 MAOA (0.53) MAOAKDM1AMAOBCA12CA1
SCHEMBL1639545 0.85 MAOA (0.53) MAOAKDM1AMAOBCA12CA1
Bromide SCHEMBL11252079 0.83 MAOA (0.51) MAOAKDM1AMAOBGID4ALDH1A1
SCHEMBL13801056 0.83 KDM1A (0.44) MAOAKDM1AMAOBCA12CA1
Hydrochloric Acid SCHEMBL28782088 0.83 MAOA (0.51) MAOAKDM1AMAOBGID4ALDH1A1
SCHEMBL6868706 0.82 MAOA (0.50) MAOAKDM1AMAOBGID4ALDH1A1
SCHEMBL3163003 0.80 KDM1A (0.42) MAOAKDM1AMAOBALDH1A1TDP1
SCHEMBL164122 0.78 MEN1 (0.59) MAOAKDM1AMAOBGID4
SCHEMBL31494195 0.78 MEN1 (0.59) MAOAKDM1AMAOBGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 — — US disclosed
US-9006231-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-04-14 — — US disclosed
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2014-06-19 — — US disclosed
US-8466142-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-18 — — US disclosed
EP-2394989-A1 Method for producing a N-substituted aziridine BASF SE (DE) 2011-12-14 — — EP disclosed
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-03-24 — — US disclosed
EP-2275408-A1 Method for synthesizing a n-substituted aziridine BASF SE (DE) 2011-01-19 — — EP disclosed
US-20100191000-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE BASF SE (DE) 2010-07-29 — — US disclosed
CN-101679234-A Method for synthesizing N-unsubstituted or N-substituted aziridine BASF SE 2010-03-24 — — CN disclosed
EP-2160379-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE BASF SE (DE) 2010-03-10 — — EP disclosed
WO-2009148654-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-12-10 — — WO disclosed
WO-2008155355-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE BASF SE (DE) 2008-12-24 — — WO 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 (3 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-20100191000-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE CBR1, CBR3, AOC2 MAOA 166/4885KDM1A 2786/4885MAOB 46/4885
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP MAOA 3151/4885KDM1A 852/4885MAOB 2562/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP MAOA 3151/4885KDM1A 852/4885MAOB 2562/4885

“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.

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