SCHEMBL7538181

SCHEMBL7538181

O=C(Cl)C(=O)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.63
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
AVPR1A P37288 2/20 0.49
GPR84 Q9NQS5 1/20 0.49
GABRP O00591 5/20 0.48
GABRD O14764 5/20 0.48
GABRA1 P14867 5/20 0.48
GABRB1 P18505 5/20 0.48
GABRG2 P18507 5/20 0.48
GABRB3 P28472 5/20 0.48
GABRA5 P31644 5/20 0.48
GABRA3 P34903 5/20 0.48
GABRA2 P47869 5/20 0.48
GABRB2 P47870 5/20 0.48
GABRA4 P48169 5/20 0.48
GABRE P78334 5/20 0.48
GABRA6 Q16445 5/20 0.48
GABRG1 Q8N1C3 5/20 0.48
GABRG3 Q99928 5/20 0.48

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
SCHEMBL840574 0.87 NR4A2 (0.63) NR4A2F7F3AVPR1AGPR84
SCHEMBL2535532 0.87 F7 (0.73) NR4A2F7F3GABRPGABRD
SCHEMBL3716737 0.85 NR4A2 (0.61) NR4A2F7F3AVPR1AGPR84
SCHEMBL30392504 0.84 F7 (0.74) NR4A2F7F3AVPR1AGPR84
SCHEMBL613332 0.84 F7 (0.74) NR4A2F7F3AVPR1AGPR84
SCHEMBL17495632 0.84 NR4A2 (0.60) NR4A2F7F3AVPR1AGPR84
Ammonia Solution, Strong SCHEMBL4556453 0.83 F7 (0.72) NR4A2F7F3AVPR1AGPR84
SCHEMBL23551182 0.82 NR4A2 (0.63) NR4A2ALDH1A1MEN1KMT2A
SCHEMBL14631708 0.82 CYP2A6 (0.49) NR4A2
SCHEMBL3124053 0.82 TDO2 (0.50) NR4A2GPR84GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321722-B2 Bis-indolic derivatives, their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2016-04-26 US 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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-09-12 US disclosed
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 US disclosed
EP-1089997-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H.Lundbeck A/S (DK) 2001-04-11 EP disclosed
WO-1999067237-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-12-29 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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use HTR2C, HTR1A, HTR7 NR4A2 668/4885F7 399/4885F3 3231/4885
US-20140228359-A1 BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS IDO1, IDO2, AANAT NR4A2 3867/4885F7 4536/4885F3 4165/4885

“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.