SCHEMBL55593

SCHEMBL55593

COc1ccc(C)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
THRB P10828 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
MCL1 Q07820 1/20 0.57
CYP3A4 P08684 4/20 0.54
CASP1 P29466 1/20 0.52
MAPK1 P28482 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 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
SCHEMBL29569367 1.00 ALDH1A1 (0.59) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL8167265 0.83 NR4A1 (0.61) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL375549 0.83 DYRK1A (0.53) ALDH1A1TDP1SMN1; SMN2CYP3A4CASP1
SCHEMBL29568160 0.81 ALDH1A1 (0.59) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL91981 0.81 ALDH1A1 (0.59) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL29387850 0.80 ALDH1A1 (0.64) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL234263 0.80 ALDH1A1 (0.64) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL25947189 0.80 MAOB (0.56) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL31713018 0.79 ALDH1A1 (0.50) ALDH1A1MAPTMEN1THRBKMT2A
Hydrochloric Acid SCHEMBL8946354 0.79 ALDH1A1 (0.63) ALDH1A1MAPTMEN1THRBKMT2A

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 1019 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911629-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2021-11-24 EP claimed
WO-2020148617-A1 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI INDUSTRIES LTD. (IN) 2020-07-23 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-9249091-B2 Post-treated sulfurized salt of an alkyl-substituted hydroxyaromatic composition CHEVRON ORONITE COMPANY LLC (US) 2016-02-02 US claimed
US-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION CHEVRON ORONITE COMPANY LLC (US) 2013-06-27 US claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7056986-B2 ethylene monomer can be a vinyl ketone, ether, ester, halide, nitrile, aromatic, or an allyl ether; acrylic monomer can be a mono- or diacid or monoester of a diacid; a monoamine, a guanidine compound, and an aromatic diamine; improved vulcanizability, balance between processability and compression set DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2006-06-06 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
JP-62061964-A None JP disclosed
EP-4694889-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN AGGREGATION DISEASES Acelot, Inc. (US) 2026-02-18 EP disclosed
US-12447153-B2 HER2 mutation inhibitors PFIZER INC. (US) 2025-10-21 US disclosed
US-20250282736-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST JUDE CHILDRENS RES HOSPITAL (US) 2025-09-11 US disclosed
US-3960831-A WET FASTNESS, COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3945992-A DISAZO DYES FOR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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-20130165359-A1 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION TST, PAH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 814/4885MAPT 501/4885MEN1 3463/4885
US-12447153-B2 HER2 mutation inhibitors ERBB2, EGFR, ERBB3 ALDH1A1 2320/4885MAPT 2119/4885MEN1 970/4885
US-20250282736-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR NR1H4, NR1I2, NR1I3 ALDH1A1 3469/4885MAPT 3783/4885MEN1 4207/4885

“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.