SCHEMBL7256602

SCHEMBL7256602

CCc1ncccc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAPRT Q6XQN6 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 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
SCHEMBL9768749 0.86 P2RX7 (0.44) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
Acetic Acid SCHEMBL16666942 0.85 KDM4E (0.53) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL12204906 0.85 P2RX7 (0.43) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL8534431 0.85 ALDH1A1 (0.57) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL123202 0.85 KDM4E (0.57) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL31277349 0.85 ALDH1A1 (0.57) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL353231 0.83 KDM4E (0.55) P2RX7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8537595 0.83 SMN1; SMN2 (0.43) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL767027 0.83 P2RX7 (0.46) P2RX7ALDH1A1KDM4EL3MBTL1TDP1
Hydrochloric Acid SCHEMBL17746080 0.83 KDM4E (0.55) P2RX7ALDH1A1KDM4EL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
EP-1700856-B1 THIAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2015-11-11 EP disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 US disclosed
WO-2003027100-A1 SUBSTITUTED 3-PYRIDYL PYRIMIDINES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 P2RX7 2406/4885ALDH1A1 9/4885KDM4E 1802/4885
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC P2RX7 4871/4885ALDH1A1 4455/4885KDM4E 800/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC P2RX7 4871/4885ALDH1A1 4455/4885KDM4E 800/4885

“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.