SCHEMBL20696264

SCHEMBL20696264

C=C(N)NCCc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.68
TAAR1 Q96RJ0 2/20 0.57
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CNR1 P21554 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
MCHR1 Q99705 1/20 0.49
MEN1 O00255 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL3915490 0.81 IDO1 (1.00) IDO1TAAR1CYP2C19CYP1A2CYP2D6
SCHEMBL10310268 0.81 IDO1 (0.68) IDO1TAAR1CYP2C19CYP1A2CYP2D6
SCHEMBL8581580 0.81 IDO1 (0.68) IDO1TAAR1CYP2C19CYP1A2CYP2D6
SCHEMBL10731587 0.80 NPC1 (0.59) IDO1TAAR1CYP2C19CYP1A2CYP2D6
SCHEMBL20000816 0.77 CA12 (0.49) IDO1KMT2ALMNAGAAPOLB
SCHEMBL6885865 0.76 KMT2A (0.75) IDO1KMT2ALMNAGAAMAPT
SCHEMBL8441620 0.75 IDO1 (0.60) IDO1TAAR1CYP2C19CYP1A2CYP2D6
SCHEMBL4582082 0.74 TAAR1 (0.65) IDO1TAAR1CYP2C19CYP1A2CYP2D6
SCHEMBL1223474 0.74 CNR1 (0.68) IDO1TAAR1CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL19371410 0.74 IDO1 (0.58) IDO1TAAR1CYP2C19CYP1A2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US 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-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 IDO1 2443/4885TAAR1 85/4885CYP2C19 963/4885

“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.