Sugi Predict

Sugi Predict / Compounds / SCHEMBL700172

SCHEMBL700172

SCHEMBL700172

Nc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cnc4ccccn34)ncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.59
▸ HDAC2 Q92769 4/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HDAC3 O15379 3/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL699361 0.84 HDAC1 (0.59) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL705455 0.84 HDAC1 (0.55) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL702348 0.83 IRAK4 (0.53) NPC1RAB9AALDH1A1TP53CYP1A2
SCHEMBL699310 0.83 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3678119 0.82 PKM (0.64) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3684150 0.80 HDAC1 (0.54) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL701007 0.78 HDAC1 (0.57) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL700616 0.78 HDAC1 (0.56) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL12790515 0.77 HDAC1 (0.53) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL3686398 0.77 HDAC1 (0.53) HDAC1HDAC2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 — — WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC2 12/4885NPC1 2452/4885

“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.