SCHEMBL241271

SCHEMBL241271

Cc1cc(N)ccc1N1CCCCC1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.93
MAPT P10636 9/20 0.93
MEN1 O00255 7/20 0.93
KMT2A Q03164 7/20 0.93
GAA P10253 6/20 0.93
THRB P10828 4/20 0.93
NR4A1 P22736 1/20 0.93
PTK2B Q14289 1/20 0.93
POLB P06746 2/20 0.65
GFER P55789 2/20 0.63
RAD52 P43351 2/20 0.63
ALDH1A3 P47895 2/20 0.57
HTT P42858 6/20 0.56
KDM4E B2RXH2 5/20 0.53
ALOX15 P16050 4/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.53
YWHAG P61981 1/20 0.53
MAPK1 P28482 2/20 0.51
S100B P04271 2/20 0.50

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
SCHEMBL6156455 0.98 ALDH1A1 (0.96) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL7031588 0.94 ALDH1A1 (0.89) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6272228 0.92 ALDH1A1 (0.86) ALDH1A1MAPTMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7051020 0.91 ALDH1A1 (0.89) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL15358737 0.90 MAPT (0.81) ALDH1A1MAPTMEN1KMT2AGAA
Sulfuric Acid SCHEMBL6653587 0.88 MAPT (0.78) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5357582 0.84 MAPT (0.73) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12006386 0.83 MAPT (0.71) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL25091069 0.83 MAPT (0.71) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL187881 0.83 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3814334-A1 4-SUBSTITUTED PHENYL-1,3,5-TRIAZINE DERIVATIVES AS MODULATORS OF TRK RECEPTORS Alzecure Pharma AB (SE) 2021-05-05 EP disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
CN-101768130-A Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof TIANJIN INST PHARM RESEARCH 2010-07-07 CN disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases MERCK PATENT GMBH (DE) 2005-08-04 US disclosed
EP-1501814-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GmbH (DE) 2005-02-02 EP disclosed
WO-2003093254-A1 SEMICARBAZIDE DERIVATIVES FOR COMBATING THROMBOEMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-11-13 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 (9 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-20050171102-A1 Semicarbazide derivatives for combating thromboembolic diseases SERPINC1, F11, F12 ALDH1A1 212/4885MAPT 4863/4885MEN1 201/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885MEN1 4681/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885MEN1 4681/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885MEN1 4681/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885MEN1 4681/4885
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG ALDH1A1 1583/4885MAPT 367/4885MEN1 1148/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885MEN1 4100/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885MEN1 4681/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885MAPT 2833/4885MEN1 4681/4885

“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.