SCHEMBL2453998

SCHEMBL2453998

CN(N=C(c1ccc(Cl)cc1Cl)n1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
CYP3A4 P08684 4/20 0.40
ADRB3 P13945 4/20 0.38
ADRA2C P18825 3/20 0.38
IDO1 P14902 3/20 0.38
ADORA3 P0DMS8 3/20 0.38
SLC6A2 P23975 3/20 0.38
HTR2A P28223 3/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2B P41595 3/20 0.38
KCNH2 Q12809 3/20 0.38
HTR1A P08908 2/20 0.38
TBXA2R P21731 2/20 0.38
ADRA1A P35348 2/20 0.38
PGR P06401 2/20 0.38
CHRM2 P08172 2/20 0.38
ADRA2A P08913 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
CYP2C9 P11712 2/20 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
SCHEMBL2453997 1.00 MAPT (0.45) MAPTCYP3A4ADRB3ADRA2CIDO1
SCHEMBL2451631 0.88 NR1I2 (0.36) MAPTCYP3A4ADRB3ADORA3SLC6A2
SCHEMBL2451630 0.88 NR1I2 (0.36) MAPTCYP3A4ADRB3ADORA3SLC6A2
SCHEMBL2455506 0.81 POLB (0.40) MAPTCYP3A4ADRB3ADRA2CADORA3
SCHEMBL2455504 0.81 POLB (0.40) MAPTCYP3A4ADRB3ADRA2CADORA3
SCHEMBL2451494 0.81 HTR1A (0.41) MAPTCYP3A4ADRB3ADRA2CIDO1
SCHEMBL2451496 0.81 HTR1A (0.41) MAPTCYP3A4ADRB3ADRA2CIDO1
SCHEMBL2452035 0.78 KMT2A (0.38) MAPTCYP3A4ADRB3ADORA3SLC6A2
SCHEMBL2452034 0.78 KMT2A (0.38) MAPTCYP3A4ADRB3ADORA3SLC6A2
SCHEMBL2451488 0.77 UTS2R (0.32) NPC1RAB9ACYP19A1

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 MAPT 4346/4885CYP3A4 240/4885ADRB3 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.