SCHEMBL8421283

SCHEMBL8421283

NC(C(=O)NO)C(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.60
▸ POLB P06746 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HDAC1 Q13547 7/20 0.56
▸ PABPC1 P11940 1/20 0.54
▸ RAB9A P51151 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HDAC6 Q9UBN7 4/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49

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
SCHEMBL8421144 0.84 ACP1 (0.56) NPC1POLBMAPTHDAC1RAB9A
SCHEMBL8421533 0.81 PABPC1 (0.63) NPC1POLBMEN1MAPTKMT2A
SCHEMBL13034819 0.79 NPC1 (0.70) NPC1POLBMEN1MAPTKMT2A
SCHEMBL6719866 0.79 ROCK2 (0.62) NPC1POLBMEN1MAPTKMT2A
SCHEMBL3627962 0.78 ALDH1A1 (0.64) NPC1POLBMEN1MAPTKMT2A
SCHEMBL3632246 0.78 ALDH1A1 (0.64) NPC1POLBMEN1MAPTKMT2A
SCHEMBL8083047 0.78 HDAC1 (0.72) NPC1POLBMEN1MAPTKMT2A
SCHEMBL29221820 0.78 NPC1 (0.60) NPC1POLBMEN1MAPTKMT2A
SCHEMBL8420871 0.77 HDAC1 (0.65) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4960580 0.77 NPC1 (0.77) NPC1POLBMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847122-B2 Polymorphs of suberoylanilide hydroxamic acid MERCK HDAC RESEARCH, LLC (US) 2010-12-07 — — US disclosed
US-20080249179-A1 Methods of treating cancer with HDAC inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-10-09 — — US disclosed
US-20080228005-A1 Polymorphs of suberoylanilide hydroxamic acid NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 — — US disclosed
US-20080227862-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. 2008-09-18 — — US disclosed
US-7375137-B2 Methods of treating cancer with HDAC inhibitors MERCK HDAC RESEARCH, LLC (US) 2008-05-20 — — US disclosed
US-20060167103-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. (US) 2006-07-27 — — 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 (4 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-20060167103-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC1, HDAC4 NPC1 1123/4885POLB 1223/4885MEN1 4220/4885
US-20080249179-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 NPC1 1351/4885POLB 3321/4885MEN1 2776/4885
US-20080228005-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 NPC1 1777/4885POLB 860/4885MEN1 4666/4885
US-20080227862-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 NPC1 1351/4885POLB 3321/4885MEN1 2776/4885

“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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