SCHEMBL754600

SCHEMBL754600

COc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc2ccccc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 3/20 0.47
TP53 P04637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 5/20 0.44
TSHR P16473 3/20 0.42
GPR55 Q9Y2T6 1/20 0.42
EGFR P00533 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.40
APLNR P35414 2/20 0.39
PTK2 Q05397 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL754735 0.74 SMN1; SMN2 (0.43) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL969722 0.72 RAB9A (0.45) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL13218195 0.72 HPGD (0.48) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL13255481 0.70 SMN1; SMN2 (0.47) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL12020187 0.70 HPGD (0.47) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL13255465 0.69 HPGD (0.50) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL13255451 0.69 HPGD (0.47) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL967751 0.68 RAB9A (0.48) RAB9AHPGDSMN1; SMN2POLBNPC1
SCHEMBL969732 0.68 RAB9A (0.44) RAB9AHPGDSMN1; SMN2POLBTP53
SCHEMBL13255453 0.68 HPGD (0.47) RAB9AHPGDSMN1; SMN2POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885HPGD 2594/4885SMN1; SMN2 3746/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885HPGD 2594/4885SMN1; SMN2 3746/4885

“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.