SCHEMBL1171146

SCHEMBL1171146

Clc1ccc2[nH]c(-c3nc4cc(Cl)ccc4[nH]3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ FTO Q9C0B1 1/20 0.53
▸ NPC1 O15118 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ PKM P14618 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ METAP2 P50579 2/20 0.47
▸ METAP1 P53582 2/20 0.47
▸ CBFB Q13951 1/20 0.47

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
SCHEMBL9032997 0.90 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL3335014 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL15643361 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL4806610 0.85 CBFB (0.55) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL3335842 0.85 KDM4E (0.76) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL13406020 0.84 DGAT1 (0.54) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7164761 0.84 RHEB (0.69) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL3336441 0.84 KDM4E (0.59) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL1192946 0.83 F7 (0.47) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL13405888 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection SIGA TECHNOLOGIES, INC. (US) 2014-04-10 — — US claimed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 — — US claimed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 — — US claimed
US-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection SIGA TECHNOLOGIES, INC. (US) 2014-04-10 — — US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 — — US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 — — US disclosed
US-8623347-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES, INC. (US) 2014-01-07 — — US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 — — US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 — — US disclosed
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-02-03 — — US disclosed
WO-2009123776-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-10-08 — — 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-20140100245-A1 Antiviral Drugs for Treatment of Arenvirus Infection HAVCR2, ZC3HAV1, SARS1 ALDH1A1 2058/4885KDM4E 4287/4885HPGD 1421/4885
US-20110027227-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION ZC3HAV1, EIF2AK2, SARS1 ALDH1A1 2238/4885KDM4E 3879/4885HPGD 1575/4885

“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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