SCHEMBL754481

SCHEMBL754481

Cc1oncc1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CSF1R P07333 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KCNQ2 O43526 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
WNT3A P56704 1/20 0.45

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
SCHEMBL27534143 0.72 CSF1R (0.47) SMN1; SMN2NPC1RAB9AALDH1A1CSF1R
SCHEMBL27534146 0.72 CSF1R (0.47) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL4060937 0.71 CSF1R (0.58) SMN1; SMN2NPC1RAB9AALDH1A1CSF1R
SCHEMBL29963496 0.70 KMT2A (0.71) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL17183464 0.70 SMN1; SMN2 (1.00) SMN1; SMN2GAARAB9AKDM4EALDH1A1
SCHEMBL31675012 0.69 GAA (0.61) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL2072047 0.69 CA12 (0.55) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL13200785 0.69 MAPK14 (0.54) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL13688113 0.69 RAB9A (0.53) SMN1; SMN2GAANPC1RAB9AKDM4E
SCHEMBL655554 0.69 NPC1 (0.59) SMN1; SMN2GAANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP 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-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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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
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
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP 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
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT SMN1; SMN2 3953/4885GAA 1106/4885NPC1 1838/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885GAA 1442/4885NPC1 2338/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885GAA 1442/4885NPC1 2338/4885

“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.