SCHEMBL8468623

SCHEMBL8468623

Nc1ccccc1NC(=S)S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.50
HDAC1 Q13547 13/20 0.50
HDAC2 Q92769 13/20 0.50
MAPK1 P28482 1/20 0.50
HDAC6 Q9UBN7 8/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC4 P56524 6/20 0.47
HDAC7 Q8WUI4 6/20 0.47
HDAC11 Q96DB2 6/20 0.47
HDAC9 Q9UKV0 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47
NCOR2 Q9Y618 4/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
Ammonia Solution, Strong SCHEMBL11800520 0.98 HDAC3 (0.48) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL6032044 0.84 ALDH1A1 (0.42) MAPK1NPC1RAB9AKDM4EMAPT
SCHEMBL1116302 0.80 L3MBTL1 (0.61) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL10894670 0.80 HDAC3 (0.57) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL24881745 0.78 HDAC3 (0.60) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL11757742 0.78 HDAC1 (0.50) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL8456184 0.78 HDAC3 (0.50) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL11799525 0.77 HDAC3 (0.53) HDAC3HDAC1HDAC2MAPK1HDAC6
SCHEMBL11500810 0.76 NPC1 (0.48) MAPK1NPC1RAB9AKDM4EMAPT
SCHEMBL13568860 0.75 HDAC3 (0.47) HDAC3HDAC1HDAC2MAPK1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3935098-A Adsorbent process for heavy metals NIPPON SODA CO., LTD. (JA) 1976-01-27 US claimed
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US disclosed
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US disclosed
WO-2010052670-A1 PROCESS TO PREPARE NEW SUBSTITUTED 1H-BENZO [d] IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-14 WO disclosed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US disclosed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US disclosed
EP-2184276-A1 Process to prepare new substituted 1H-Benzo(d) imidazol-2(3h)-Ones, New intermediates and their use as bace 1 inhibitors UNIVERSITE PAUL CEZANNE AIX-MARSEILLE III (FR) 2010-05-12 EP disclosed
CN-1052043-A 2-PART HAIR DYEING AGENTS SUNSTAR KK (JP) 1991-06-12 CN disclosed
US-3985782-A Phenylthiourea derivatives RHONE-POULENC S.A. (FR) 1976-10-12 US disclosed
US-3935098-A Adsorbent process for heavy metals NIPPON SODA CO., LTD. (JA) 1976-01-27 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 (1 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-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 HDAC3 1468/4885HDAC1 450/4885HDAC2 430/4885

“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.