SCHEMBL14527434

SCHEMBL14527434

O=C(NNC(=O)c1ccc2cc[nH]c2c1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ENPP2 Q13822 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ ESR1 P03372 4/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ HDAC2 Q92769 2/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 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
SCHEMBL14527403 0.86 GHSR (0.56) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL14526878 0.81 KDM4E (0.63) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL7395927 0.81 KDM4E (0.61) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL14527441 0.79 SIRT2 (0.47) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL31593940 0.79 KDM4E (0.58) GHSRALDH1A1KDM4EHPGDENPP2
SCHEMBL18000228 0.77 BRAF (0.58) GHSRCHRNA7CCNCCDK8BRAF
SCHEMBL14527422 0.77 CHEK2 (0.49) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL2004886 0.75 KDM4E (0.66) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL232249 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL4102768 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDENPP2HSD17B10

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-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 — — US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 — — 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-20070093529-A1 Diacylhydrazine derivatives BRAF, RAF1, NRAS GHSR 3536/4885ALDH1A1 1014/4885KDM4E 2528/4885

“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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