SCHEMBL6787752

SCHEMBL6787752

Nc1cc(Br)c2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
CSNK2A1 P68400 1/20 0.37
AHR P35869 3/20 0.36
CYP2A6 P11509 1/20 0.36
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM3 Q86V86 1/20 0.34
IKBKB O14920 4/20 0.33
CHUK O15111 4/20 0.33
JAK2 O60674 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MELK Q14680 1/20 0.32
STK24 Q9Y6E0 1/20 0.32
PDPK1 O15530 1/20 0.32
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL16815127 0.78 IKBKB (0.35) AHRCYP2A6NR4A2IKBKBCHUK
SCHEMBL8995163 0.78 AHR (0.48) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL1137858 0.77 AHR (0.47) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL34460066 0.77 CSNK2A1 (0.38) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL14363462 0.77 GPR84 (0.34) AHRNR4A2IKBKBCHUKPDPK1
SCHEMBL2983533 0.75 ALDH1A1 (0.38) AHRCYP2A6ALDH1A1IKBKBCHUK
SCHEMBL5176001 0.75 XDH (0.40) MAPTCSNK2A1AHRCYP2A6NR4A2
SCHEMBL3961345 0.75 TNF (0.42) AHRIKBKBCHUKPDPK1TNF
SCHEMBL1397681 0.75 CSNK2A1 (0.46) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL5372066 0.75 ALOX15 (0.45) GAACSNK2A1AHRCYP2A6NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568971-A1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTOR SUBTYPE 2B Vanderbilt University (US) 2025-06-18 EP disclosed
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed
WO-2024036183-A1 ANTAGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTOR SUBTYPE 2B VANDERBILT UNIVERSITY (US) 2024-02-15 WO disclosed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 EP disclosed
WO-2022217276-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-10-13 WO disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
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
US-5929094-A NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA MERCK & CO., INC. (US) 1999-07-27 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 MAPT 343/4885GAA 4740/4885CSNK2A1 1694/4885
US-20030105147-A1 Benzimidazoles and benzothiazoles and uses thereof ADRB2, BDKRB2, ADRB1 MAPT 303/4885GAA 4401/4885CSNK2A1 1761/4885

“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.