SCHEMBL840361

SCHEMBL840361

Clc1cccc2ncc3ccccc3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
GPR3 P46089 1/20 0.57
CYP1A2 P05177 3/20 0.47
CYP2A6 P11509 2/20 0.47
PARP1 P09874 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
AR P10275 1/20 0.39
GUSB P08236 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL30857515 0.81 KDM4E (0.61) KDM4EGPR3CYP1A2ALDH1A1NPC1
SCHEMBL28248628 0.81 KDM4E (0.52) KDM4EGPR3CYP1A2CYP2A6MAOA
SCHEMBL27973182 0.79 GPR3 (0.64) KDM4EGPR3CYP1A2ALDH1A1HTT
SCHEMBL9038627 0.79 KDM4E (0.59) KDM4EGPR3CYP1A2ALDH1A1HTT
SCHEMBL28284564 0.78 CYP1A2 (0.42) CYP1A2PARP1ALDH1A1HTTNPC1
SCHEMBL10025808 0.78 GPR3 (0.68) KDM4EGPR3CYP1A2MAOAALDH1A1
SCHEMBL23003529 0.78 KDM4E (0.57) KDM4EGPR3CYP1A2ALDH1A1HTT
SCHEMBL2569466 0.78 KDM4E (0.57) KDM4EGPR3CYP1A2ALDH1A1HTT
SCHEMBL329543 0.78 KDM4E (0.57) KDM4EGPR3CYP1A2PARP1ALDH1A1
SCHEMBL329199 0.78 KDM4E (0.57) KDM4EGPR3CYP1A2CYP2A6ALDH1A1

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
CN-108707111-A A kind of green synthesis method of 6 (5H)-phenanthridines ketone derivatives 浙江工业大学 2018-10-26 CN disclosed
US-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 US disclosed
EP-2658858-A2 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2013-11-06 EP disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 US disclosed
US-8258297-B2 Transition metal complexes with bridged carbene ligands and use thereof in OLEDs BASF SE (DE) 2012-09-04 US disclosed
WO-2012092411-A2 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-07-05 WO disclosed
EP-2205615-B1 TRANSITION METAL COMPLEXES WITH BRIDGED CARBENE LIGANDS AND USE THEREOF IN OLEDS BASF SE (DE) 2012-04-18 EP disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
US-20100264405-A1 TRANSITION METAL COMPLEXES WITH BRIDGED CARBENE LIGANDS AND USE THEREOF IN OLEDS BASF SE (DE) 2010-10-21 US disclosed
EP-2205615-A1 TRANSITION METAL COMPLEXES WITH BRIDGED CARBENE LIGANDS AND USE THEREOF IN OLEDS BASF SE (DE) 2010-07-14 EP disclosed
WO-2009050281-A1 TRANSITION METAL COMPLEXES WITH BRIDGED CARBENE LIGANDS AND USE THEREOF IN OLEDS BASF SE (DE) 2009-04-23 WO disclosed
WO-2008156879-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2008-12-24 WO disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
EP-0355575-A2 Method of preventing polymer scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1990-02-28 EP 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 (3 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-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 KDM4E 2301/4885GPR3 2873/4885CYP1A2 564/4885
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C KDM4E 3612/4885GPR3 1714/4885CYP1A2 1887/4885
US-20100264405-A1 TRANSITION METAL COMPLEXES WITH BRIDGED CARBENE LIGANDS AND USE THEREOF IN OLEDS OCIAD1, OCIAD2, OPRD1 KDM4E 4522/4885GPR3 1297/4885CYP1A2 495/4885

“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.