Sugi Predict

Sugi Predict / Compounds / SCHEMBL1464157

SCHEMBL1464157

SCHEMBL1464157

Nc1nc(SCC(=O)c2ccc(Br)cc2)c2nc[nH]c2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ CDC7 O00311 3/20 0.54
▸ DBF4 Q9UBU7 2/20 0.54
▸ ALDH1A1 P00352 9/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ CA12 O43570 1/20 0.41

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
SCHEMBL14050054 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CDC7ALDH1A1
SCHEMBL21803846 0.84 CDC7 (0.67) CYP1A2CYP3A4CYP2C19CDC7DBF4
SCHEMBL12920817 0.81 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19CDC7DBF4
SCHEMBL9872850 0.77 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C19ALDH1A1NPC1
SCHEMBL21805217 0.72 CDC7 (0.51) CYP1A2CYP3A4CYP2C19CDC7DBF4
SCHEMBL14028457 0.72 ALDH1A1 (0.65) CYP1A2CYP3A4CYP2C19CDC7DBF4
SCHEMBL21755893 0.71 MAP3K5 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL21803850 0.70 MAPT (0.69) CYP1A2CDC7DBF4ALDH1A1NPC1
SCHEMBL24846433 0.69 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C19CDC7DBF4
SCHEMBL8826177 0.69 SLC29A1 (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — US disclosed
WO-2011014299-A2 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-02-03 — — 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-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 CYP1A2 2189/4885CYP3A4 1831/4885CYP2C19 4176/4885

“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.