SCHEMBL507027

SCHEMBL507027

NCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.62
KMT2A Q03164 2/20 0.60
PLAU P00749 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MCHR1 Q99705 1/20 0.58
PTPN1 P18031 1/20 0.58
NT5E P21589 1/20 0.58
MAPK1 P28482 1/20 0.58
PLG P00747 1/20 0.57
PLAT P00750 1/20 0.57
PRSS1 P07477 1/20 0.57
PRMT1 Q99873 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL4173409 1.00 KLKB1 (0.62) KLKB1KMT2APLAUALDH1A1MEN1
SCHEMBL24892329 0.91 PLAU (0.69) KLKB1KMT2APLAUMEN1POLB
SCHEMBL9767723 0.86 NPC1 (0.76) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL611657 0.86 NPC1 (0.76) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL10939703 0.86 NPC1 (0.76) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL29202217 0.85 POLB (0.76) KLKB1KMT2APLAUMEN1POLB
SCHEMBL28217179 0.85 POLB (0.76) KLKB1KMT2APLAUMEN1POLB
SCHEMBL22080027 0.85 KMT2A (0.61) KLKB1KMT2APLAUALDH1A1MEN1
SCHEMBL20548351 0.85 KMT2A (0.61) KMT2AALDH1A1MEN1POLBHPGD
SCHEMBL15650846 0.85 POLB (0.76) KLKB1KMT2APLAUMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 KLKB1 4470/4885KMT2A 1239/4885PLAU 4313/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KLKB1 4464/4885KMT2A 1218/4885PLAU 4129/4885

“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.