SCHEMBL3407551

SCHEMBL3407551

O=C(c1ccccc1)c1ccccc1N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.66
ALDH1A1 P00352 2/20 0.62
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SIGMAR1 Q99720 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.51
CCR6 P51684 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TLR9 Q9NR96 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR1A P08908 3/20 0.50
ADRB1 P08588 2/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
HTR5A P47898 1/20 0.50
AKR1C3 P42330 1/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL5707829 0.90 ADRB1 (0.56) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL5707831 0.88 HTR6 (0.60) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL109882 0.85 ADRB1 (0.55) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL28529587 0.85 LMNA (0.57) HTR6ALDH1A1TSHRHSD17B10HSP90AA1
SCHEMBL28325052 0.85 NPC1 (0.62) HTR6ALDH1A1TSHRHSD17B10HSP90AA1
SCHEMBL28283430 0.83 ADRB1 (0.53) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL29761689 0.83 ADRB1 (0.53) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL10684744 0.83 NPC1 (0.65) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL2869405 0.83 HTR6 (0.61) HTR6ALDH1A1USP2TSHRHSD17B10
SCHEMBL2323487 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHSP90AA1PKMCCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262809-A1 BENZOPHENONE-PIPERAZINE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2010-12-22 EP claimed
WO-2009118749-A1 BENZOPHENONE-PIPERAZINE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO claimed
EP-2459519-B1 MACROPHOTOINITIATORS BASF SE (DE) 2017-11-29 EP disclosed
CN-101851497-B Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC 2015-06-10 CN disclosed
US-8906979-B2 Macrophotoinitiators BASF SE (DE) 2014-12-09 US disclosed
CN-102977080-A Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC 2013-03-20 CN disclosed
CN-101180575-B Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC 2013-01-02 CN disclosed
US-20120178844-A1 MACROPHOTOINITIATORS BASF SE (DE) 2012-07-12 US disclosed
CN-102250044-A Piperazino photoinitiation sensitiser SUN CHEMICAL CORP 2011-11-23 CN disclosed
CN-1914185-B Piperazine-based sensitizer SUN CHEMICAL CORP 2011-06-29 CN disclosed
CN-101921184-A Multi-functional group type aromatic ketone compound and photoinitiator containing same SHENZHEN YOUWEI CHEMICAL TECHNOLOGY CO LTD 2010-12-22 CN disclosed
CN-101851497-A Photochromic material with reactive substituents TRANSITIONS OPTICAL INC 2010-10-06 CN disclosed
CN-101180575-A Photochromic materials with reactive substituents TRANSITIONS OPTICAL INC (US) 2008-05-14 CN disclosed
CN-1914185-A Piperazine-based sensitizer SUN CHEMICAL CORP (US) 2007-02-14 CN 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 (1 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-20120178844-A1 MACROPHOTOINITIATORS CD68, CD209, MSR1 HTR6 1281/4885ALDH1A1 1147/4885USP2 3078/4885

“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.