SCHEMBL8254312

SCHEMBL8254312

COc1ccc(Br)c(CC(=O)NC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL8254314 0.82 LMNA (0.42) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL898733 0.81 HPGD (0.52) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL29853520 0.81 HPGD (0.52) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL2742615 0.80 HSD17B10 (0.68) HPGDLMNAHSD17B10POLB
SCHEMBL11780219 0.79 RXFP1 (0.59) ALDH1A1KMT2AMEN1LMNARXFP1
SCHEMBL10624636 0.78 HSD17B10 (0.49) MEN1HPGDHSD17B10HDAC1POLB
Bromide SCHEMBL29853696 0.78 HSD17B10 (0.66) HPGDLMNAHSD17B10POLB
SCHEMBL1097014 0.78 HSD17B10 (0.49) ALDH1A1HPGDHSD17B10HDAC1POLB
SCHEMBL3594266 0.76 MEN1 (0.47) ALDH1A1KMT2AMEN1HPGDHSD17B10
SCHEMBL3822251 0.76 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10HDAC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350043-B2 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA, INC. (US) 2013-01-08 — — US disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 — — US disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 — — US disclosed
WO-2006133242-A2 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA, INC. (US) 2006-12-14 — — WO 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-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders HTR3C, HTR3A, AZI2 ALDH1A1 200/4885KMT2A 1562/4885MEN1 3973/4885

“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.

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