SCHEMBL672238

SCHEMBL672238

COc1ccc(CSCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
IDO1 P14902 5/20 0.53
MAOB P27338 3/20 0.52
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
AGXT P21549 2/20 0.47
KIF11 P52732 1/20 0.46
APP P05067 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
SLC6A4 P31645 1/20 0.44

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
Hydrochloric Acid SCHEMBL9371761 0.98 TAAR1 (0.55) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL728403 0.84 IDO1 (0.56) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL62037 0.83 IDO1 (0.59) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL6511578 0.83 TAAR1 (0.47) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL27715704 0.83 TAAR1 (0.47) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL11573046 0.81 NQO1 (0.50) ALDH1A1SMN1; SMN2KIF11TSHRALOX12
Hydrochloric Acid SCHEMBL5797813 0.81 IDO1 (0.60) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL6624910 0.81 IDO1 (0.57) TAAR1IDO1MAOBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11119737 0.81 CYP2C19 (0.48) IDO1CYP3A4
SCHEMBL8841051 0.81 IDO1 (0.49) TAAR1IDO1MAOBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US claimed
US-20250319213-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX ADVANCED BIOCHEMICAL COMPOUNDS – BIOMEDIZINISCHE FORSCHUNGSREAGENZIEN GMBH (DE) 2025-10-16 US disclosed
EP-4529473-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX Advanced Biochemical Compounds - Biomedizinische Forschungsreagenzien GmbH (DE) 2025-04-02 EP disclosed
WO-2023227535-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX ADVANCED BIOCHEMICAL COMPOUNDS GMBH (DE) 2023-11-30 WO disclosed
EP-4282438-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS ABX Advanced Biochemical Compounds GmbH (DE) 2023-11-29 EP disclosed
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US disclosed
US-20170115259-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYZING IMAGING AGENT, PRECURSOR OF IMAGING AGENT, OR INTERMEDIATE OF IMAGING AGENT Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-04-27 US disclosed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
EP-0302366-B1 Substituted pyridine derivatives BAYER AG (DE) 1994-09-14 EP disclosed
US-5103018-A Antitumor agent; side effect reduction KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
EP-0302366-A2 Substituted pyridine derivatives BAYER AG (DE) 1989-02-08 EP disclosed
EP-0280741-A1 MITOMYCIN DERIVATIVES KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1988-09-07 EP disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
EP-0013071-B1 PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-16 EP disclosed
US-4322342-A Analgesic compounds ELI LILLY AND COMPANY (US) 1982-03-30 US disclosed
US-4259234-A OLIGOPEPTIDES FOR PARENTERAL ADMINISTRATION ELI LILLY AND COMPANY (US) 1981-03-31 US disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 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-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF TAAR1 1020/4885IDO1 1/4885MAOB 86/4885
US-20250319213-A1 FUNCTIONALIZED BISAMINOTHIOL DERIVATIVES, COMPLEXES WITH THESE BISAMINOTHIOL DERIVATIVES AND USE OF SAID COMPLEXES AS DIAGNOSTICS AND THERAPEUTICS MARS1, MARS2, BCAT1 TAAR1 1752/4885IDO1 1647/4885MAOB 2312/4885

“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.