SCHEMBL10890708

SCHEMBL10890708

CC(C)c1cc(N)cc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.40
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
CYP19A1 P11511 1/20 0.35
FABP5 Q01469 1/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL2377994 0.94 ALDH1A1 (0.41) ALDH1A1HTTGAAALOX12HIF1A
Methane SCHEMBL27480899 0.91 ALDH1A1 (0.39) ALDH1A1HTTGAAALOX12HIF1A
Methoxymethane SCHEMBL28134919 0.86 ALDH1A1 (0.37) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL14267832 0.84 ALDH1A1 (0.60) ALDH1A1HTTGAAALOX12HIF1A
Methane SCHEMBL27482061 0.82 ALDH1A1 (0.57) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL3791553 0.82 CYP3A4 (0.55) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL27449232 0.82 GABRA1 (0.38) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL13491971 0.82 ALDH1A1 (0.39) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL10931556 0.82 ALDH1A1 (0.43) ALDH1A1HTTGAAALOX12HIF1A
SCHEMBL29467095 0.82 CYP3A4 (0.55) ALDH1A1HTTGAAALOX12HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873389-B2 Composition and molded article AKITA UNIVERSITY (JP) 2024-01-16 US disclosed
US-11873389-B2 Composition and molded article AKITA UNIVERSITY (JP) 2024-01-16 US disclosed
CN-111303004-B Imide monomer as amino end cap, organic hybridization film and preparation method thereof 云南大学 2023-09-29 CN disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 US disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 US disclosed
US-20220073722-A1 COMPOSITION AND MOLDED ARTICLE AKITA UNIVERSITY (JP) 2022-03-10 US disclosed
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed
EP-3904450-A1 COMPOSITION AND MOLDED ARTICLE Akita University (JP) 2021-11-03 EP disclosed
CN-111303004-A Imide monomer as amino end capping, organic hybrid membrane and preparation method thereof 云南大学 2020-06-19 CN disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-4628097-A Process for the preparation of 2-amino-alkylpyridines BAYER AKTIENGESELLSCHAFT (DE) 1986-12-09 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 (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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 ALDH1A1 2976/4885HTT 1802/4885GAA 3927/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF ALDH1A1 2317/4885HTT 258/4885GAA 996/4885

“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.