Sugi Predict

Sugi Predict / Compounds / SCHEMBL405569

SCHEMBL405569

SCHEMBL405569

CC(=O)Nc1ccc(Cl)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ RORC P51449 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ ATAD2 Q6PL18 1/20 0.51
▸ CECR2 Q9BXF3 1/20 0.51
▸ ESRRA P11474 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL2093174 0.86 NPC1 (0.59) SMN1; SMN2NPC1HTTL3MBTL1EPHX1
SCHEMBL31349930 0.85 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1NPC1RORCHTT
SCHEMBL9834085 0.85 NPC1 (0.54) SMN1; SMN2NPC1HTTL3MBTL1EPHX1
SCHEMBL2093170 0.85 NPC1 (0.54) SMN1; SMN2NPC1HTTL3MBTL1EPHX1
SCHEMBL864429 0.85 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1NPC1RORCHTT
SCHEMBL4548035 0.84 EPHX1 (0.70) SMN1; SMN2NPC1RORCHTTEPHX1
SCHEMBL18900103 0.83 NPC1 (0.55) SMN1; SMN2ALDH1A1NPC1EPHX1EPHX2
SCHEMBL2336203 0.82 POLB (0.68) SMN1; SMN2ALDH1A1NPC1TDP1HSD17B10
SCHEMBL29990241 0.82 POLB (0.68) SMN1; SMN2ALDH1A1NPC1TDP1HSD17B10
SCHEMBL15975496 0.81 EPHX1 (0.79) SMN1; SMN2NPC1HTTEPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993946-A Preparation method of 5-amino-2-chlorotoluene-4-sulfonic acid 海连化工科技(绍兴)有限公司 2024-11-22 — — CN claimed
CN-118993946-A Preparation method of 5-amino-2-chlorotoluene-4-sulfonic acid 海连化工科技(绍兴)有限公司 2024-11-22 — — CN disclosed
CN-118993946-A Preparation method of 5-amino-2-chlorotoluene-4-sulfonic acid 海连化工科技(绍兴)有限公司 2024-11-22 — — CN disclosed
WO-2020023792-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2020-01-30 — — WO disclosed
WO-2019079209-A1 COMBINATION THERAPY FOR PREVENTING ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2019-04-25 — — WO disclosed
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2017-09-21 — — US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 — — EP disclosed
US-9610299-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2017-04-04 — — US disclosed
US-9409145-B2 Separating agent DAICEL CORPORATION (JP) 2016-08-09 — — US disclosed
US-9409145-B2 Separating agent DAICEL CORPORATION (JP) 2016-08-09 — — US disclosed
WO-2014087937-A1 SEPARATING AGENT 株式会社ダイセル (JP) 2014-06-12 — — WO disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 — — US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 — — US disclosed
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-03 — — US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
CN-1171863-C Carbamate derivatives and agricultural/horticultural bactericides ��Ԩ��ѧ��ҵ��ʽ���� 2004-10-20 — — CN disclosed
CN-1368956-A Carbamate derivatives and agricultural/horticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-09-11 — — CN 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 (5 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-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 SMN1; SMN2 2382/4885ALDH1A1 95/4885NPC1 1395/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885NPC1 2861/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 SMN1; SMN2 1995/4885ALDH1A1 1279/4885NPC1 2113/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885NPC1 2861/4885
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 SMN1; SMN2 2382/4885ALDH1A1 95/4885NPC1 1395/4885

“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.