Sugi Predict

Sugi Predict / Compounds / SCHEMBL1503102

SCHEMBL1503102

SCHEMBL1503102

COC(=O)c1ncc(COc2ccc(F)c(Cl)c2)c(C)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39

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
SCHEMBL1503247 0.86 AR (0.45) MAOBALDH1A1HPGDLMNAMEN1
SCHEMBL1503165 0.83 ALDH1A1 (0.41) MAOBALDH1A1LMNAMEN1KMT2A
SCHEMBL1503281 0.78 LMNA (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL15746730 0.77 PPARG (0.43) MAOBMEN1KMT2ANPC1MAOA
SCHEMBL27833075 0.76 MAOB (0.44) MAOBALDH1A1MEN1KMT2AS1PR1
SCHEMBL2220322 0.75 ALDH1A1 (0.40) MAOBALDH1A1MEN1KMT2ANPC1
SCHEMBL1503136 0.74 SCN9A (0.42) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL2387082 0.74 MAOB (0.56) MAOBALDH1A1LMNAMEN1KMT2A
SCHEMBL1503147 0.72 ALDH1A1 (0.39) MAOBALDH1A1KMT2AMAOAPPARG
SCHEMBL2146762 0.72 LMNA (0.50) ALDH1A1HPGDLMNAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 — — US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 — — US claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 — — EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 — — WO claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 — — US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 — — US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 — — EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 — — 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB MAOB 40/4885ALDH1A1 334/4885HPGD 442/4885

“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.