SCHEMBL12401228

SCHEMBL12401228

c1c2c(cc3c1OCCCO3)CNC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CD274 Q9NZQ7 1/20 0.35
OXTR P30559 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL12401236 0.90 CD274 (0.40) SMN1; SMN2CD274OXTR
SCHEMBL4689086 0.80 KDM4E (0.42) OXTRALDH1A1HPGDKMT2A
SCHEMBL20929568 0.76 CD274 (0.51) CD274
SCHEMBL19186630 0.71 ACHE (0.33) CD274OXTR
SCHEMBL1855676 0.70 KDM4E (0.33) SMN1; SMN2L3MBTL1
SCHEMBL12401182 0.70 HTR2A (0.32) L3MBTL1CD274OXTR
SCHEMBL11768224 0.69 PNMT (0.39)
SCHEMBL22743828 0.67 ASIC3 (0.34) CD274ALDH1A1
SCHEMBL22744291 0.67 ASIC3 (0.34) CD274ALDH1A1
SCHEMBL1856539 0.67 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1NPC1RAB9AALDH1A1

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
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 US disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 SMN1; SMN2 4663/4885L3MBTL1 3956/4885CD274 2852/4885

“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.