SCHEMBL2535532

SCHEMBL2535532

O=C(Cl)C(=O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.73
F3 P13726 1/20 0.73
NR4A2 P43354 1/20 0.63
GABRP O00591 4/20 0.58
GABRD O14764 4/20 0.58
GABRA1 P14867 4/20 0.58
GABRB1 P18505 4/20 0.58
GABRG2 P18507 4/20 0.58
GABRB3 P28472 4/20 0.58
GABRA5 P31644 4/20 0.58
GABRA3 P34903 4/20 0.58
GABRA2 P47869 4/20 0.58
GABRB2 P47870 4/20 0.58
GABRA4 P48169 4/20 0.58
GABRE P78334 4/20 0.58
GABRA6 Q16445 4/20 0.58
GABRG1 Q8N1C3 4/20 0.58
GABRG3 Q99928 4/20 0.58
GABRQ Q9UN88 4/20 0.58
CDK4 P11802 1/20 0.55

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
SCHEMBL7538181 0.87 NR4A2 (0.63) F7F3NR4A2GABRPGABRD
SCHEMBL592274 0.86 F7 (0.77) F7F3NR4A2GABRPGABRD
SCHEMBL2535534 0.85 F7 (0.71) F7F3NR4A2GABRPGABRD
SCHEMBL1434913 0.84 F7 (1.00) F7F3NR4A2GABRPGABRD
SCHEMBL14631301 0.82 F7 (0.49) F7F3NR4A2GABRPGABRD
SCHEMBL7533649 0.82 KDM4E (0.59) F7F3CDK4CCND1
SCHEMBL7287695 0.82 LMNA (0.68) F7F3NR4A2CDK4CCND1
SCHEMBL1558405 0.82 NR4A2 (0.61) F7F3NR4A2GABRA1GABRB1
SCHEMBL28369562 0.81 F7 (0.65) F7F3NR4A2GABRPGABRD
SCHEMBL13013297 0.81 NR4A2 (0.74) F7F3NR4A2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480524-A Alkaloid hamacanthins series derivatives, and preparation method and application thereof 河北工业大学 2021-10-08 CN disclosed
CN-107149602-B Application of indole compounds and derivatives thereof in preparation of anti-HIV drugs 中国医学科学院药物研究所 2020-10-09 CN disclosed
CN-107149603-B Application of indole compounds and derivatives thereof in preparation of anti-influenza virus drugs 中国医学科学院药物研究所 2020-07-14 CN disclosed
CN-107176921-B Indole compounds with antiviral activity in isatis root and derivatives thereof 中国医学科学院药物研究所 2020-03-31 CN disclosed
US-9321722-B2 Bis-indolic derivatives, their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2016-04-26 US disclosed
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2014-08-14 US disclosed
EP-2548865-B1 Novel bis-indolic derivatives, their uses in particular as antibacterials UNIV JOSEPH FOURIER (FR) 2014-03-05 EP disclosed
EP-2548865-A1 Novel bis-indolic derivatives, their uses in particular as antibacterials Université Joseph Fourier (FR) 2013-01-23 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed
EP-1007523-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-14 EP disclosed
WO-1999005140-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-02-04 WO disclosed
US-5192770-A Antiemetic, anxiolytic, cognition activator SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed
EP-0490263-A1 Alpha-oxoacetamide derivatives SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 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 (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-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use TPH1, HTR1A, HTR3A F7 2432/4885F3 1663/4885NR4A2 1366/4885
US-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS IDO1, IDO2, AANAT F7 4536/4885F3 4165/4885NR4A2 3867/4885

“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.