SCHEMBL4843421

SCHEMBL4843421

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3c(Cl)cccc3Cl)cc1)NC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.41
ITGA4 P13612 6/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TGM2 P21980 1/20 0.39
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
KMT2A Q03164 2/20 0.38
CDYL2 Q8N8U2 1/20 0.37

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
SCHEMBL4843413 1.00 ITGB1 (0.41) ITGB1ITGA4MAPTALDH1A1NPC1
SCHEMBL4846252 0.94 RAB9A (0.44) MAPTALDH1A1NPC1CYP3A4CYP2C9
SCHEMBL4846242 0.94 RAB9A (0.44) MAPTALDH1A1NPC1CYP3A4CYP2C9
SCHEMBL4835131 0.92 KMT2A (0.41) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL4835120 0.92 KMT2A (0.41) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL4847174 0.91 MEN1 (0.46) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL4847184 0.91 MEN1 (0.46) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL4843013 0.90 NPC1 (0.43) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL4843003 0.90 NPC1 (0.43) MAPTALDH1A1NPC1LMNACYP1A2
SCHEMBL4844423 0.90 RAB9A (0.47) MAPTALDH1A1NPC1LMNACYP1A2

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 ITGB1 1397/4885ITGA4 1524/4885MAPT 646/4885

“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.