SCHEMBL2449293

SCHEMBL2449293

CN(C)/N=C(\c1ccccc1OCc1cccc(Cl)c1)n1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.73
ADRA1A P35348 2/20 0.73
NR1I2 O75469 1/20 0.73
NR3C1 P04150 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CNR1 P21554 1/20 0.73
TBXA2R P21731 1/20 0.73
SLC6A2 P23975 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
SLC6A4 P31645 1/20 0.73
OPRK1 P41145 1/20 0.73
HTR2B P41595 1/20 0.73
PDE4D Q08499 1/20 0.73
KCNH2 Q12809 1/20 0.73
SGMS2 Q8NHU3 2/20 0.47
ENPP2 Q13822 1/20 0.46
ADRB2 P07550 4/20 0.44
ADRB1 P08588 4/20 0.44
ADRB3 P13945 4/20 0.44

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
SCHEMBL2449294 1.00 HTR1A (0.73) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2450102 0.90 NR1I2 (0.58) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2450098 0.90 NR1I2 (0.58) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2454521 0.90 NR1I2 (0.56) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2454526 0.90 NR1I2 (0.56) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2449833 0.89 NR1I2 (0.57) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2449835 0.89 NR1I2 (0.57) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2446152 0.88 HTR1A (0.56) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2446149 0.88 HTR1A (0.56) HTR1AADRA1ANR1I2NR3C1ADORA3
SCHEMBL2451649 0.87 NR1I2 (0.55) HTR1AADRA1ANR1I2NR3C1ADORA3

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 HTR1A 781/4885ADRA1A 88/4885NR1I2 189/4885

“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.