SCHEMBL5362887

SCHEMBL5362887

CCC(O)(CNC)c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 1/20 0.36
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
PRKCI P41743 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
CYP17A1 P05093 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL30005059 0.77 ALDH1A1 (0.39) CYP19A1RAB9AUSP2NR1H2NR1H3
SCHEMBL27821193 0.73 RAB9A (0.38) CYP19A1RAB9AUSP2NR1H2NR1H3
SCHEMBL2794969 0.73 CYP2C19 (0.39) CYP19A1RAB9AUSP2CYP3A4CYP2C19
SCHEMBL5929626 0.73 CYP2C19 (0.39) CYP19A1RAB9AUSP2CYP3A4CYP2C19
SCHEMBL10156588 0.70 CYP2C19 (0.50) CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL27557013 0.68 USP2 (0.45) CYP19A1RAB9AUSP2NR1H2NR1H3
SCHEMBL11681348 0.68 ALDH1A1 (0.42) CYP19A1RAB9AUSP2NR1H2NR1H3
SCHEMBL5950461 0.67 ESR1 (0.46) NR1H2NR1H3CYP2C19ALDH1A1KMT2A
SCHEMBL14943969 0.67 CYP2C19 (0.42) CYP2C19ALDH1A1KMT2A
SCHEMBL28098161 0.67 RAB9A (0.36) CYP19A1RAB9AUSP2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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 (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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 CYP19A1 1104/4885RAB9A 3907/4885USP2 3284/4885

“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.