SCHEMBL6751854

SCHEMBL6751854

Nc1ccc(-c2ccc(-c3ccc(N)cc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 1.00
▸ CYP3A4 P08684 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ESR1 P03372 1/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ PRF1 P14222 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HSD17B1 P14061 4/20 0.44
▸ HSD17B2 P37059 4/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ SNCA P37840 1/20 0.42

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
SCHEMBL12372828 0.90 APP (0.81) APPCYP3A4TDP1ALDH1A1TP53
SCHEMBL12973258 0.88 APP (1.00) APPCYP3A4ALDH1A1ESR1ESR2
SCHEMBL12973225 0.88 APP (0.77) APPCYP3A4TDP1ALDH1A1TP53
SCHEMBL9912044 0.87 APP (0.76) APPCYP3A4TDP1ALDH1A1TP53
SCHEMBL21427066 0.86 APP (0.74) APPCYP3A4TDP1ALDH1A1ESR1
SCHEMBL21427063 0.86 APP (0.74) APPCYP3A4TDP1ALDH1A1ESR1
SCHEMBL11896154 0.83 APP (0.70) APPCYP3A4TDP1ALDH1A1TP53
SCHEMBL12973259 0.82 APP (1.00) APPCYP3A4TDP1ALDH1A1TP53
SCHEMBL11113150 0.78 APP (0.61) APPALDH1A1ESR1ESR2MEN1
SCHEMBL12491723 0.74 APP (0.58) APPCYP3A4ALDH1A1TP53ESR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019189416-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-10-03 — — WO disclosed
WO-2019182072-A1 POLYUREA COPOLYMER, LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 — — WO disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 — — WO disclosed
US-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 — — US disclosed
US-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 — — US disclosed
US-20080167429-A1 Nanoimprinting composition CHISSO CORPORATION 2008-07-10 — — US disclosed
US-20080167429-A1 Nanoimprinting composition CHISSO CORPORATION 2008-07-10 — — US disclosed
US-20080003381-A1 Overcoat film composition, color filter substrate, and liquid crystal display element CHISSO CORPORATION 2008-01-03 — — US disclosed
US-20080003381-A1 Overcoat film composition, color filter substrate, and liquid crystal display element CHISSO CORPORATION 2008-01-03 — — US disclosed
US-6706754-B2 ANTIPROTOZOA AGENTS, PARASITICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-03-16 — — US disclosed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 — — US disclosed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 — — 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 (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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 APP 4533/4885CYP3A4 2270/4885TDP1 3336/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 APP 4533/4885CYP3A4 2270/4885TDP1 3336/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA APP 4689/4885CYP3A4 3622/4885TDP1 1890/4885

“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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