SCHEMBL6782167

SCHEMBL6782167

Nc1cc(Cl)c2scnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.32
DYRK1A Q13627 2/20 0.32
TP53 P04637 1/20 0.31
CASP6 P55212 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL11714933 0.79 ALDH1A1 (0.35) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL30954658 0.79 ALDH1A1 (0.35) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL18876082 0.76 ATIC (0.33) NPC1RAB9A
SCHEMBL6787588 0.76 MAPT (0.39) ALDH1A1THRBGAADYRK1AMEN1
SCHEMBL30002759 0.76 GRM4 (0.31)
SCHEMBL3648625 0.76 SMN1; SMN2 (0.35) ALDH1A1TSHRDYRK1ADAO
SCHEMBL6789168 0.72 ELANE (0.39) MEN1KMT2ANPC1RAB9ADAO
SCHEMBL18876083 0.72 EIF4A3 (0.30)
SCHEMBL18876151 0.72 CYP2C19 (0.30)
SCHEMBL18876100 0.72 MEN1 (0.33) MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723741-B2 ANALGESICS, SEDATIVES, ANESTHETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-20 US disclosed
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-05 US disclosed
US-6498177-B2 ALPHA 2 ADRENERGIC RECEPTOR AGONIST; ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-24 US disclosed
US-20020049239-A1 Novel indole and benzothiazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-04-25 US disclosed
US-6303643-B1 THERAPY OF MIGRAINE HEADACHE, HYPERTENSION, ALCOHOL WITHDRAWAL, DRUG ADDICTION, RHEUMATOID ARTHRITIS, PRESBYOPIA, ISCHEMIC PAIN, SPASTICITY, DIARRHEA, NASAL CONGESTION, AND URINARY INCONTINENCE BY ADMINISTERING BENZOTHIAZOLE DERIVATIVE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-16 US disclosed
EP-0900080-A4 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 2000-12-13 EP disclosed
US-6159998-A Substituted indoles and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
US-6040451-A USED AS ANALGESIC, SEDATIVE AND ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-21 US disclosed
US-5948804-A ANAESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-09-07 US disclosed
EP-0900080-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-03-10 EP disclosed
US-5677321-A ANESTHETIC PREMEDICATION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-10-14 US disclosed
WO-1997031636-A1 NOVEL INDOLE AND BENZOTHIAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-09-04 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 (2 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-20020049239-A1 Novel indole and benzothiazole derivatives ADRB2, ADRB1, CNR2 CYP3A4 506/4885ALDH1A1 456/4885THRB 282/4885
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof ADRB2, BDKRB2, ADRB1 CYP3A4 375/4885ALDH1A1 323/4885THRB 361/4885

“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.