SCHEMBL16756403

SCHEMBL16756403

COC(=O)c1ccc2nc(C)n(Cc3ccccc3OC(F)F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ ACSS2 Q9NR19 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ KIF11 P52732 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ NR2F2 P24468 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
SCHEMBL16756434 0.82 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16756437 0.82 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16756605 0.82 GALR3 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16756558 0.81 GALR3 (0.43) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL20258867 0.81 GALR3 (0.45) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL15552701 0.81 GALR3 (0.46) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL6170293 0.81 MEN1 (0.48) KDM4EACSS2TP53NPC1RAB9A
SCHEMBL28860467 0.80 GALR3 (0.62) KDM4EHDAC1HDAC6HDAC3HDAC4
SCHEMBL16756350 0.79 GALR3 (0.43) KDM4EHDAC1HDAC6NPC1RAB9A
SCHEMBL16756330 0.79 P2RX3 (0.38) HDAC1HDAC6ACSS2HDAC3HDAC4

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
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 — — EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 — — US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 — — 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA KDM4E 3916/4885HDAC1 382/4885HDAC6 214/4885

“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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