SCHEMBL3051701

SCHEMBL3051701

O=C(NCCO)c1cnc2ncc(CCCOc3cc(Cl)ccc3Cl)c(=O)n2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KLKB1 P03952 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
GABRA5 P31644 1/20 0.37
KDM4E B2RXH2 2/20 0.37
F10 P00742 3/20 0.36
TP53 P04637 3/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FYN P06241 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL218097 0.75 ALDH1A1 (0.47) ALDH1A1LMNAKLKB1POLBHPGD
SCHEMBL3069571 0.73 NR3C1 (0.39) POLBHPGDHTT
SCHEMBL3062042 0.66 POLB (0.49) ALDH1A1POLBHPGDHTTKDM4E
SCHEMBL8955786 0.62 ALDH1A1 (0.69) ALDH1A1LMNAHPGDKDM4ETP53
SCHEMBL10359297 0.61 ALDH1A1 (0.68) ALDH1A1LMNAPOLBHPGDKDM4E
SCHEMBL1073588 0.60 RAB9A (0.47) ALDH1A1LMNAKLKB1POLBHTT
SCHEMBL2701799 0.60 CNR1 (0.57) POLBL3MBTL1KMT2A
SCHEMBL9585652 0.59 CYP1A2 (0.70) ALDH1A1LMNAPOLBHPGDHTT
SCHEMBL620675 0.59 KDM4C (0.54) ALDH1A1POLBHPGDHTTL3MBTL1
SCHEMBL6290092 0.58 HPGD (1.00) ALDH1A1LMNAPOLBHPGDHTT

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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US claimed
WO-2010045371-A1 PYRIDO- AND PYRIMIDO (1, 2-A) PYRIMIDINE COMPOUNDS USEFUL AS STEAROYL COA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-04-22 WO claimed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
WO-2010045371-A1 PYRIDO- AND PYRIMIDO (1, 2-A) PYRIMIDINE COMPOUNDS USEFUL AS STEAROYL COA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-04-22 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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FADS2 ALDH1A1 293/4885LMNA 1721/4885KLKB1 4353/4885

“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.