SCHEMBL2450359

SCHEMBL2450359

Clc1ccc(OCCOc2[c]cccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
KCNH2 Q12809 2/20 0.44
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SCN4A P35499 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 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
SCHEMBL7862622 0.93 DRD2 (0.47) DRD4DRD2DRD3KCNH2ALDH1A1
SCHEMBL2450334 0.86 SCN4A (0.39) DRD4DRD2DRD3KCNH2MAOB
SCHEMBL2451127 0.85 KCNA3 (0.52) DRD4DRD2DRD3KCNH2RAB9A
SCHEMBL6238419 0.83 JAK2 (0.33) SMN1; SMN2TAAR1LMNAALDH1A1
SCHEMBL2453704 0.83 DRD2 (0.46) DRD4DRD2DRD3KCNH2L3MBTL1
SCHEMBL4827804 0.81 GPR84 (0.47) MAOBMAOANPC1RAB9ATAAR1
SCHEMBL6539543 0.80 KCNA3 (0.61) DRD4DRD2DRD3KCNH2TAAR1
SCHEMBL2455319 0.80 KCNA3 (0.56) DRD4DRD2DRD3KCNH2TAAR1
SCHEMBL6539339 0.79 KCNA3 (0.59) DRD4DRD2DRD3KCNH2TAAR1
SCHEMBL1532027 0.78 MAOA (0.42) MAOBMAOAL3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 DRD4 1104/4885DRD2 409/4885DRD3 478/4885

“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.