SCHEMBL5934381

SCHEMBL5934381

CC(C)(C)c1cccc(NC(=O)c2ccc(-c3cccc(F)c3)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ WNT3A P56704 4/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.48
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ATR Q13535 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL5934854 0.90 TRPV1 (0.57) HPGDSWNT3APTPN1PTPN6PTPN11
SCHEMBL5934471 0.89 MEN1 (0.57) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL5934657 0.88 HDAC8 (0.54) HDAC3HDAC8HDAC6KCNK9PTPN1
SCHEMBL5934592 0.87 HDAC3 (0.55) HDAC3HDAC8HDAC6KCNK9MEN1
SCHEMBL5934797 0.85 HDAC8 (0.53) HDAC3HDAC8HDAC6KCNK9MEN1
SCHEMBL5934224 0.85 TP53 (0.55) HPGDSHDAC3HDAC8HDAC6MEN1
SCHEMBL5934639 0.85 HDAC8 (0.53) HDAC3HDAC8HDAC6WNT3AKCNK9
SCHEMBL16495383 0.85 HPGDS (0.64) HPGDSWNT3AKCNK9PTPN1PTPN6
SCHEMBL5934585 0.85 HDAC3 (0.55) HDAC3HDAC8HDAC6KCNK9MEN1
SCHEMBL5934416 0.84 HDAC3 (0.57) HDAC3HDAC8HDAC6WNT3AKCNK9

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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2006-05-11 — — 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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues HCAR2, AHR, HCAR3 HPGDS 1597/4885HDAC3 424/4885HDAC8 740/4885

“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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