SCHEMBL2449877

SCHEMBL2449877

CN(C)/N=C(/c1ccccc1CCc1ccccc1)n1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.37
CYP24A1 Q07973 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL2449881 1.00 ALDH1A1 (0.40) ALDH1A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL2452609 0.85 ADRB2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL2452610 0.85 ADRB2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL2449461 0.84 ADRB2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2449454 0.84 ADRB2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2452051 0.84 LIPG (0.38) ADRB2ADRB1ADRB3
SCHEMBL2452050 0.84 LIPG (0.38) ADRB2ADRB1ADRB3
SCHEMBL2447436 0.83 TBXAS1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2447434 0.83 TBXAS1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2453104 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 ALDH1A1 831/4885SCN1A 1563/4885SCN2A 758/4885

“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.