SCHEMBL4882954

SCHEMBL4882954

CC(=O)CCc1c[nH]c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
KMT2A Q03164 5/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL19100362 0.87 HPGD (0.50) HDAC1KMT2APOLBHTTNPC1
SCHEMBL8142211 0.82 MTNR1A (0.66) HDAC1KMT2AMTNR1AMTNR1BRAB9A
SCHEMBL10081670 0.79 PSMD14 (0.44) HDAC1KMT2APOLBMEN1MAPT
SCHEMBL3210049 0.77 HDAC1 (0.54) HDAC1KMT2ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL27612173 0.77 HDAC1 (0.46) HDAC1KMT2APOLBSMN1; SMN2MTNR1A
SCHEMBL10185730 0.77 KDM4E (0.53) HDAC1KMT2APOLBSMN1; SMN2GLA
SCHEMBL12605493 0.77 MTNR1A (0.43) KMT2APOLBHTTSMN1; SMN2MTNR1A
SCHEMBL31036160 0.76 HTR2A (0.54) HDAC1KMT2AMEN1MAPTCYP1A2
SCHEMBL3212708 0.76 HTR2A (0.54) HDAC1KMT2AMEN1MAPTCYP1A2
SCHEMBL1120411 0.76 HTR2A (0.58) HDAC1KMT2AHTTMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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 (2 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C HDAC1 1929/4885KMT2A 1311/4885POLB 2341/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C HDAC1 1362/4885KMT2A 2573/4885POLB 2708/4885

“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.