SCHEMBL6770549

SCHEMBL6770549

O=C(c1cccnc1)c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
VNN1 O95497 1/20 0.59
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
CYP11B2 P19099 1/20 0.56
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50

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
SCHEMBL11811571 0.85 CES2 (0.60) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3481961 0.82 RAB9A (0.62) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8192187 0.81 SMN1; SMN2 (0.56) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL22426419 0.81 ALDH1A1 (0.56) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7289960 0.81 AKR1C3 (0.66) ALDH1A1LMNAKMT2AAPPGAA
SCHEMBL28752271 0.80 KMT2A (0.59) SMN1; SMN2VNN1ALDH1A1LMNAKMT2A
SCHEMBL8309926 0.80 RAB9A (0.50) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL6950942 0.79 GAA (0.65) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3251235 0.79 ALDH1A1 (0.52) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL27951998 0.79 TBXAS1 (0.53) HPGDALDH1A1LMNAKMT2AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909193-B1 PHENYL LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-04-19 EP disclosed
US-9309222-B2 Phenyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-04-12 US disclosed
US-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 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 (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-20140107097-A1 HETEROARYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB HPGD 2549/4885SMN1; SMN2 4708/4885NPC1 2743/4885
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT HPGD 2182/4885SMN1; SMN2 3446/4885NPC1 3657/4885

“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.