SCHEMBL5604550

SCHEMBL5604550

CCC(Cc1ccccc1)=NO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 4/20 0.43
LMNA P02545 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 2/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL5604545 1.00 CTBP2 (0.48) CTBP2ALDH1A1MAPTGAALMNA
SCHEMBL3966062 0.86 CTBP2 (0.56) CTBP2ALDH1A1MAPTGAALMNA
SCHEMBL27399090 0.81 CTBP2 (0.48) CTBP2ALDH1A1MAPTLMNAKMT2A
SCHEMBL7095690 0.81 ALDH1A1 (0.46) CTBP2ALDH1A1MAPTGAALMNA
SCHEMBL2640208 0.80 CTBP2 (0.50) CTBP2ALDH1A1MAPTGAALMNA
Biphenyl SCHEMBL27544513 0.79 MAPT (0.48) ALDH1A1MAPTGAALMNACES2
SCHEMBL27552001 0.79 HTT (0.41) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL7608511 0.79 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2TP53KDM4E
SCHEMBL7608510 0.79 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2TP53KDM4E
Catechol SCHEMBL10950947 0.78 GAA (0.49) CTBP2ALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP disclosed
WO-2007072089-A1 MGLUR5 ANTAGONISTIC CARBAMOYL-OXIME DERIVATIVES RICHTER GEDEON VEGYÉSZETU GYÁR RT. (HU) 2007-06-28 WO disclosed
EP-0542617-B1 Method for the preparation of an oximesilane compound SHINETSU CHEMICAL CO (JP) 1997-08-13 EP disclosed
US-5241095-A METHOD FOR THE PREPARATION OF AN OXIMESILANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-08-31 US disclosed
EP-0542617-A1 Method for the preparation of an oximesilane compound Shin-Etsu Chemical Co., Ltd. (JP) 1993-05-19 EP disclosed
US-5171872-A Method for the preparation of an oximesilane without coloration SHIN-ETSU CHEMICAL COMPANY, LIMITED (JP) 1992-12-15 US disclosed
EP-0417167-A1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS AlliedSignal Inc. (US) 1991-03-20 EP disclosed
WO-1989011473-A1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS ALLIED-SIGNAL INC. (US) 1989-11-30 WO disclosed
EP-0158159-B1 PROCESS FOR THE SYNTHESIS OF O-SUBSTITUTED OXIME COMPOUNDS AND THE CONVERSION THEREOF INTO THE CORRESPONDING HYDROXYLAMINE O-SUBSTITUTED AlliedSignal Inc. (US) 1988-10-05 EP disclosed
EP-0082324-B1 PRODUCING OXIMINOSILANES, OXIMINOGERMANES AND OXIMINOSTANNANES ALLIED CORPORATION (US) 1987-01-14 EP disclosed
EP-0098369-B1 PRODUCING ALKOXYSILANES AND ALKOXY-OXIMINOSILANES ALLIED CORPORATION (US) 1986-07-30 EP disclosed
EP-0158159-A1 Process for the synthesis of o-substituted oxime compounds and the conversion thereof into the corresponding hydroxylamine o-substituted AlliedSignal Inc. (US) 1985-10-16 EP disclosed
EP-0098369-A2 Producing alkoxysilanes and alkoxy-oximinosilanes ALLIED CORPORATION (US) 1984-01-18 EP disclosed
US-4400527-A Producing oximinosilanes, oximinogermanes and oximinostannanes ALLIED CORPORATION (US) 1983-08-23 US disclosed
EP-0082324-A2 Producing oximinosilanes, oximinogermanes and oximinostannanes ALLIED CORPORATION (US) 1983-06-29 EP disclosed
US-4380660-A SILYLATION, DEHYDROHALOGENATION ALLIED CORPORATION (US) 1983-04-19 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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 CTBP2 4568/4885ALDH1A1 1674/4885MAPT 117/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 CTBP2 4568/4885ALDH1A1 1674/4885MAPT 117/4885

“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.