SCHEMBL5586552

SCHEMBL5586552

Nc1ccc(OCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
MAOB P27338 8/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 2/20 0.53
GPR84 Q9NQS5 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11334520 0.86 MAOB (0.64) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL10981393 0.81 DRD2 (0.56) MAOBMEN1KMT2AMAOAGPR84
SCHEMBL11003085 0.81 MAOB (0.50) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL11135881 0.81 NPC1 (0.68) NPC1RAB9AMAOBKMT2AMAOA
SCHEMBL30354887 0.81 NPC1 (0.68) NPC1RAB9AMAOBTAAR1TDP1
SCHEMBL14586644 0.81 DRD2 (0.60) NPC1MAOBMEN1KMT2AMAOA
SCHEMBL11005147 0.81 MAOB (0.50) NPC1RAB9AMAOBMEN1KMT2A
SCHEMBL21331850 0.81 GPR84 (0.61) NPC1RAB9AMAOBMAOAGPR84
SCHEMBL6342076 0.81 RAB9A (1.00) NPC1RAB9AMAOBMAOA
SCHEMBL8942088 0.81 MAOB (0.73) RAB9AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 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 (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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 NPC1 2328/4885RAB9A 1162/4885MAOB 976/4885

“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.