SCHEMBL14924864

SCHEMBL14924864

CC(=O)COc1ccc2[nH]c3c(c2c1)CCNC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.67
LMNA P02545 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 1/20 0.67
THRB P10828 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
RECQL P46063 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 3/20 0.59
RAD52 P43351 1/20 0.59
NISCH Q9Y2I1 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR7 P34969 1/20 0.53
KDM4E B2RXH2 6/20 0.48
HTR5A P47898 1/20 0.48
NR2E1 Q9Y466 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
SCHEMBL1491307 0.88 HSD17B10 (0.67) HSD17B10LMNACYP1A2CYP2D6THRB
SCHEMBL29440302 0.80 HSD17B10 (1.00) HSD17B10LMNACYP1A2CYP2D6THRB
SCHEMBL329762 0.80 HSD17B10 (1.00) HSD17B10LMNACYP1A2CYP2D6THRB
Hydrochloric Acid SCHEMBL31670342 0.79 HSD17B10 (0.97) HSD17B10LMNACYP1A2CYP2D6THRB
SCHEMBL2978779 0.78 LMNA (0.63) HSD17B10LMNACYP1A2CYP2D6THRB
Formic Acid SCHEMBL31031810 0.78 HSD17B10 (0.87) HSD17B10LMNACYP1A2CYP2D6THRB
SCHEMBL5678241 0.75 CYP1A2 (0.70) HSD17B10LMNACYP1A2CYP2D6THRB
Acetic Acid SCHEMBL30396701 0.74 LMNA (0.58) HSD17B10LMNACYP1A2CYP2D6THRB
SCHEMBL21114783 0.74 KMT2A (1.00) HSD17B10LMNACYP1A2CYP2D6THRB
Hydrochloric Acid SCHEMBL18345596 0.73 KMT2A (0.97) HSD17B10LMNACYP1A2CYP2D6THRB

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-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HSD17B10 110/4885LMNA 2584/4885CYP1A2 1309/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HSD17B10 84/4885LMNA 885/4885CYP1A2 643/4885

“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.