SCHEMBL8427653

SCHEMBL8427653

Cc1nc2ccc(Cl)cc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAP3K14 Q99558 1/20 0.50
PTPN1 P18031 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL435075 0.85 NPC1 (0.61) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL9614328 0.81 LMNA (0.41) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL1104857 0.80 KDM4E (0.58) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL12598297 0.79 ADORA3 (0.47) KDM4EALDH1A1RAB9ANPC1MAP3K14
SCHEMBL30621926 0.79 ADORA3 (0.47) KDM4EALDH1A1RAB9ANPC1MAP3K14
SCHEMBL749310 0.79 RAB9A (0.47) KDM4EALDH1A1RAB9ANPC1MAP3K14
SCHEMBL7508681 0.78 KMT2A (0.57) KDM4ELMNARAB9AMAP3K14PTPN1
SCHEMBL30263662 0.77 KDM4E (0.55) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL521102 0.77 KDM4E (0.55) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL960479 0.77 ALDH1A1 (0.55) KDM4EALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 EP disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
US-5874501-A POLY(P-HYDROXYSTYRENE) WITH AROMATIC MOIETY AND ALIPHATIC MOIETY WITH INORGANIC OXIDE KEEHAN DONALD J (US) 1999-02-23 US disclosed
EP-0407554-B1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1997-09-17 EP disclosed
WO-1997031047-A1 MULTI-FUNCTIONAL OXIRANE POLYMERS KEEHAN DONALD J (US) 1997-08-28 WO disclosed
US-5658996-A A LIQUID POLYEPOXIDE PREPOLYMER THE REACTION PRODUCT OF A TRISHYDROXYPHENYL, AN AROMATIC DIGLYCIDYL ETHER AND METAL OXIDE; CURABLE, LOW VISCOSITY; FORMED POLYEPOXIDE IS HEAT AND CHEMICAL RESISTANCE, ELONGATION, TOUGHNESS KEEHAN DONALD J (US) 1997-08-19 US disclosed
US-5169912-A Hydrolyzable oxygen bonding with epoxide; silica, titania; high performance coatings, adhesives KEEHAN DONALD J (US) 1992-12-08 US disclosed
US-5026816-A Reaction product of diglycidyl ether of (bisphenol a or resorcinol) with metallic oxide in presence of imidazole catalyst KEEHAN DONALD J (US) 1991-06-25 US disclosed
US-4880892-A PHOSPHONIUM OR PHOSPHORANE CATALYST, PROTECTIVE COATINGS CIBA-GEIGY CORPORATION (US) 1989-11-14 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 (4 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KDM4E 1453/4885ALDH1A1 3054/4885LMNA 4178/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 KDM4E 1187/4885ALDH1A1 4579/4885LMNA 1920/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG KDM4E 2391/4885ALDH1A1 1821/4885LMNA 2761/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KDM4E 1453/4885ALDH1A1 3054/4885LMNA 4178/4885

“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.