Sugi Predict

Sugi Predict / Compounds / SCHEMBL2147306

SCHEMBL2147306

SCHEMBL2147306

Cc1c(C(=O)c2ccc(F)cc2)cnc(C(=O)NO)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ CXCR2 P25025 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ SMPD1 P17405 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ MAOB P27338 1/20 0.40
▸ CXCR1 P25024 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
SCHEMBL2147308 0.88 CCNB2 (0.47) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL2146961 0.80 LMNA (0.39) CXCR2LMNAHDAC6SMPD1HDAC1
SCHEMBL2146837 0.77 NPC1 (0.42) HDAC6HDAC1RXFP1NPC1SMN1; SMN2
SCHEMBL27901076 0.76 ATM (0.48) LMNAMAPTL3MBTL1MAOBCYP11B1
SCHEMBL1503247 0.69 AR (0.45) LMNAMEN1KMT2ARXFP1MAOB
SCHEMBL15726039 0.69 LMNA (0.68) LMNAMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL17509921 0.69 MEN1 (0.52) CXCR2LMNAHDAC1MAPTMEN1
SCHEMBL15726035 0.69 LMNA (0.64) LMNAMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL2146810 0.69 LMNA (0.43) LMNAMAPTL3MBTL1KMT2ACYP11B1
SCHEMBL6197435 0.69 LMNA (0.44) CXCR2LMNAMAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 — — US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 — — US disclosed
CN-102834381-A Pyridoxine derivatives for the inhibition of HIV integrase TAIMED BIOLOG INC 2012-12-19 — — CN disclosed
EP-2526091-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TaiMed Biologics, Inc. (TW) 2012-11-28 — — EP disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 — — US disclosed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 — — WO disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 — — 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 (2 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-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD CCNB2 496/4885CCNE2 593/4885CDK1 95/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD CCNB2 496/4885CCNE2 593/4885CDK1 95/4885

“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.