SCHEMBL2449461

SCHEMBL2449461

CN(C)N=C(c1ccccc1CSc1ccccc1)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
BRD4 O60885 1/20 0.34
CYP19A1 P11511 2/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL2449454 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3BRD4CYP19A1
SCHEMBL2449877 0.84 ALDH1A1 (0.40) ADRB2ADRB1ADRB3ALDH1A1CYP1A2
SCHEMBL2449881 0.84 ALDH1A1 (0.40) ADRB2ADRB1ADRB3ALDH1A1CYP1A2
SCHEMBL2452610 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP19A1ALDH1A1
SCHEMBL2452609 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP19A1ALDH1A1
SCHEMBL2452547 0.81 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1GAA
SCHEMBL2452545 0.81 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1GAA
SCHEMBL2453671 0.80 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP19A1CYP1A2
SCHEMBL2453666 0.80 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP19A1CYP1A2
SCHEMBL2450066 0.79 HTR6 (0.37) ADRB2ADRB1ADRB3BRD4CYP19A1

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 ADRB2 16/4885ADRB1 33/4885ADRB3 64/4885

“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.