SCHEMBL2452035

SCHEMBL2452035

CC(C)c1ccc(N(C)N=C(c2ccccc2Cl)n2ccnc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
NR1I2 O75469 1/20 0.32
NR3C1 P04150 1/20 0.32
HTR1A P08908 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL2452034 1.00 KMT2A (0.38) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2451631 0.90 NR1I2 (0.36) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2451630 0.90 NR1I2 (0.36) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2455504 0.90 POLB (0.40) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2455506 0.90 POLB (0.40) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2453548 0.82 ADRB2 (0.37) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2453546 0.82 ADRB2 (0.37) KMT2AADRB2ADRB1ADRB3POLB
SCHEMBL2453997 0.78 MAPT (0.45) KMT2AADRB2ADRB1ADRB3CYP3A4
SCHEMBL2453998 0.78 MAPT (0.45) KMT2AADRB2ADRB1ADRB3CYP3A4
SCHEMBL2451494 0.78 HTR1A (0.41) ADRB2ADRB1ADRB3CYP3A4CYP2D6

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 KMT2A 1190/4885ADRB2 16/4885ADRB1 33/4885

“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.