SCHEMBL123712

SCHEMBL123712

C=C(C)c1ccc(C)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
POLB P06746 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
SCHEMBL8192122 0.82 HDAC1 (0.52) HDAC1HDAC6KDM4EADRA2AADRA2B
SCHEMBL17033581 0.80 HDAC1 (0.50) HDAC1HDAC6KDM4EADRA2AADRA2B
SCHEMBL11625027 0.80 HDAC1 (0.50) HDAC1HDAC6KDM4EADRA2AADRA2B
SCHEMBL21450809 0.78 HDAC1 (0.44) HDAC1HDAC6KDM4EADRA2AADRA2B
SCHEMBL575041 0.77 HDAC1 (0.62) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL31290288 0.77 HDAC1 (0.62) HDAC1HDAC6KDM4EKMT2AMAPT
SCHEMBL20654542 0.77 MAPT (0.32) HDAC1HDAC6MAPT
SCHEMBL2659565 0.77 HDAC1 (0.52) HDAC1HDAC6KDM4EADRA2AADRA2B
SCHEMBL21004360 0.77 HDAC1 (0.61) HDAC1HDAC6KDM4EADRA2AADRA2B
SCHEMBL13864292 0.77 HDAC1 (0.52) HDAC1HDAC6KDM4EADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374051-A ISOPROPENYL- OR ACETYL SUBSTITUTED PYRIDINE DERIVATIVES; REGENERATION OF ESSENTIAL OILS; FLAVORS FIRMENICH SA (CH) 1983-02-15 US claimed
US-20250230137-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2025-07-17 US disclosed
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
US-20220331304-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CONSTELLATION PHARMACEUTICALS, INC. 2022-10-20 US disclosed
US-20210115008-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-04-22 US disclosed
EP-3752497-A1 P300/CBP HAT INHIBITORS Constellation Pharmaceuticals, Inc. (US) 2020-12-23 EP disclosed
WO-2019161162-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. (US) 2019-08-22 WO disclosed
EP-2308509-B1 INHIBITOR OF ANALGESIC TOLERANCE KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-05 EP disclosed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 WO disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
EP-2189449-A1 AMINOPYRAZOLE AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-05-26 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
EP-0095269-B1 RADIATION-SENSITIVE COMPOSITIONS OF POLYMERS CONTAINING A PI-METAL CARBONYL COMPLEX OF CONJUGATED POLYOLEFIN MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-24 EP disclosed
US-4503140-A Radiation-sensitive compositions of polymers containing a π-metal carbonyl complex of conjugated polyolefin MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-05 US disclosed
EP-0095269-A2 Radiation-sensitive compositions of polymers containing a pi-metal carbonyl complex of conjugated polyolefin MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-11-30 EP disclosed
US-4374051-A ISOPROPENYL- OR ACETYL SUBSTITUTED PYRIDINE DERIVATIVES; REGENERATION OF ESSENTIAL OILS; FLAVORS FIRMENICH SA (CH) 1983-02-15 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-20210115008-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A HDAC1 2/4885HDAC6 28/4885KDM4E 807/4885
US-20220331304-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS CLN6, ACHE, NLN HDAC1 1289/4885HDAC6 112/4885KDM4E 4201/4885
US-20250230137-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A HDAC1 2/4885HDAC6 28/4885KDM4E 807/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885KDM4E 894/4885

“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.