SCHEMBL3093069

SCHEMBL3093069

O=C(NCc1ccc2nccnc2c1)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.67
HDAC1 Q13547 8/20 0.67
HDAC4 P56524 4/20 0.53
HDAC3 O15379 3/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53

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
SCHEMBL3100874 0.92 HDAC6 (0.61) HDAC6HDAC1HDAC4HDAC3TUBB4A
SCHEMBL3092920 0.84 HDAC6 (0.61) HDAC6HDAC1HDAC4HDAC3TUBB4A
SCHEMBL2225264 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3MLYCD
SCHEMBL3089737 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3TUBB4A
SCHEMBL3090305 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC4HDAC3TUBB4A
SCHEMBL3090572 0.80 HDAC6 (0.76) HDAC6HDAC1HDAC4HDAC3TUBB4A
SCHEMBL2226435 0.79 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC3MLYCD
SCHEMBL3093065 0.75 HDAC6 (0.65) HDAC6HDAC1HDAC4HDAC3TUBB4A
SCHEMBL2227293 0.75 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC3ACKR3
SCHEMBL3092946 0.75 HDAC6 (0.62) HDAC6HDAC1HDAC4HDAC3TUBB4A

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-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 HDAC6 10/4885HDAC1 1/4885HDAC4 2/4885

“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.