SCHEMBL3687375

SCHEMBL3687375

O=C(O)c1cc2cc(-c3ccccc3)cc(Cl)n2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RPA1 P27694 3/20 0.44
▸ MARS1 P56192 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ PPP1CA P62136 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3646943 0.82 ALDH1A1 (0.47) KDM4EALDH1A1RPA1MARS1HSD17B10
SCHEMBL3685778 0.82 ALDH1A1 (0.47) KDM4EALDH1A1RPA1MARS1HSD17B10
SCHEMBL3683158 0.82 ALDH1A1 (0.48) KDM4EALDH1A1RPA1HSD17B10
SCHEMBL3692219 0.81 KDM4E (0.53) KDM4EALDH1A1L3MBTL1HSD17B10MAPT
SCHEMBL3686518 0.79 ALDH1A1 (0.45) KDM4EALDH1A1RPA1HSD17B10MAPT
SCHEMBL17252260 0.79 RPA1 (0.40) RPA1
SCHEMBL3690000 0.78 ALDH1A1 (0.44) KDM4EALDH1A1RPA1HSD17B10MAPT
SCHEMBL3690791 0.78 RPA1 (0.44) KDM4EALDH1A1RPA1MARS1L3MBTL1
SCHEMBL3694603 0.78 KDM4E (0.61) KDM4EALDH1A1RPA1L3MBTL1HSD17B10
SCHEMBL3688442 0.78 RPA1 (0.46) KDM4EALDH1A1RPA1L3MBTL1HSD17B10

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 — — EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 — — 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 KDM4E 2131/4885ALDH1A1 1337/4885RPA1 3293/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 KDM4E 2131/4885ALDH1A1 1337/4885RPA1 3293/4885

“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.

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