SCHEMBL3554973

SCHEMBL3554973

CCOC(=O)CCNC(=O)c1cc2ccccc2n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC3 O15379 3/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MCL1 Q07820 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL24883512 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC3MCL1HTR1A
SCHEMBL30174165 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL3551679 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL30174163 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL19308452 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL24883506 0.81 HDAC1 (0.60) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL17373163 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL13753351 0.80 MCL1 (0.61) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL16596183 0.79 HDAC1 (0.74) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL24883665 0.78 HDAC1 (0.70) HDAC1HDAC2HDAC3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116869-A1 INDOLE CARBOXAMIDE COMPOUND, PREPARATION THEREFOR AND USE THEREOF NANJING RUISHUNING MEDICAL TECHNOLOGY CO., LTD. (CN) 2024-04-11 US disclosed
WO-2023280061-A1 INDOLE FORMAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 西北农林科技大学 2023-01-12 WO disclosed
US-7732436-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-06-08 US disclosed
US-7601710-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-10-13 US disclosed
US-7601710-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-10-13 US disclosed
US-7385055-B2 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-10 US disclosed
US-7335769-B2 Preparation of hymenialdsine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-02-26 US disclosed
US-7193079-B1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-03-20 US disclosed
US-20070049575-A1 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2007-03-01 US disclosed
US-20070049575-A1 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2007-03-01 US disclosed
US-20060293305-A1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2006-12-28 US disclosed
US-20060287296-A1 Preparation of hymenialdsine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2006-12-21 US disclosed
US-20060276451-A1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2006-12-07 US disclosed
WO-2004103958-A2 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2004-12-02 WO disclosed
US-20040235820-A1 Preparation of hymenialdisine derivatives and use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2004-11-25 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 (6 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-20060287296-A1 Preparation of hymenialdsine derivatives and use thereof IDO2, CHEK2, NFKBIA HDAC1 890/4885HDAC2 109/4885HDAC3 866/4885
US-20040235820-A1 Preparation of hymenialdisine derivatives and use thereof NFKBIA, IKBKG, GSK3B HDAC1 939/4885HDAC2 126/4885HDAC3 627/4885
US-20240116869-A1 INDOLE CARBOXAMIDE COMPOUND, PREPARATION THEREFOR AND USE THEREOF IDO1, IDO2, LITAF HDAC1 710/4885HDAC2 432/4885HDAC3 2506/4885
US-20070049575-A1 PREPARATION OF HYMENIALDISINE DERIVATIVES AND USE THEREOF IDO2, CHEK2, NFKBIA HDAC1 861/4885HDAC2 115/4885HDAC3 875/4885
US-20060276451-A1 Preparation of hymenialdisine derivatives and use thereof IDO2, CHEK2, NFKBIA HDAC1 861/4885HDAC2 115/4885HDAC3 875/4885
US-20060293305-A1 Preparation of hymenialdisine derivatives and use thereof IDO2, CHEK2, NFKBIA HDAC1 861/4885HDAC2 115/4885HDAC3 875/4885

“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.