SCHEMBL291353

SCHEMBL291353

[CH2]Cc1nncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
GOT1 P17174 2/20 0.47
MPO P05164 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
PKM P14618 2/20 0.47
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
THPO P40225 1/20 0.47
AOX1 Q06278 1/20 0.47
ACOX1 Q15067 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL8152020 0.85 KDM4E (0.44) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL7551411 0.82 LMNA (0.42) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL9935697 0.80 CYP19A1 (0.49) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL2317712 0.80 LMNA (0.47) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL31300314 0.80 LMNA (0.47) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL9935701 0.80 MPO (0.53) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL8372463 0.80 LMNA (0.47) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL19952861 0.80 LMNA (0.52) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL22337427 0.80 LMNA (0.47) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL31300313 0.80 KDM4E (0.47) KDM4ELMNASMN1; SMN2ALDH1A1NPC1

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 37 patents — showing the first 20. 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-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
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
EP-1698628-A1 HYDROXYPYRIMIDINONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
CN-1221262-C Phthalazine derivatives for the treatment of inflammatory diseases NOVARTIS AG (CH) 2005-10-05 CN disclosed
CN-1660840-A Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-08-31 CN disclosed
CN-1659143-A Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2005-08-24 CN disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 EP 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 (5 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 KDM4E 336/4885LMNA 2825/4885SMN1; SMN2 3953/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 KDM4E 1722/4885LMNA 1842/4885SMN1; SMN2 4102/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT KDM4E 464/4885LMNA 2725/4885SMN1; SMN2 3801/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885LMNA 2945/4885SMN1; SMN2 3746/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885LMNA 2945/4885SMN1; 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.