SCHEMBL4405271

SCHEMBL4405271

CCCn1nnnc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC9A1 P19634 1/20 0.35

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
SCHEMBL4405709 0.88 KMT2A (0.41) ALDH1A1HSD17B10KMT2AMEN1CYP2C19
SCHEMBL4407954 0.86 SLC9A1 (0.40) KMT2AMEN1SLC9A1
SCHEMBL4408634 0.85 SLC9A1 (0.41) KMT2AMEN1SLC9A1
SCHEMBL4407149 0.83 ALDH1A1 (0.45) ALDH1A1HSD17B10KMT2AMEN1POLB
SCHEMBL24142447 0.82 MAPK1 (0.36) CYP1A2ALDH1A1KMT2AMEN1POLB
SCHEMBL95314 0.82 MAPK1 (0.36) CYP1A2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL12141919 0.80 MAPK1 (0.42) ALDH1A1HSD17B10KMT2AMEN1POLB
SCHEMBL10197492 0.79 UBE2M (0.40) ALDH1A1HSD17B10KMT2AMAPK1LMNA
SCHEMBL24142417 0.79 MAPK1 (0.35) ALDH1A1KMT2AMAPK1LMNA
SCHEMBL4544043 0.77 CNR2 (0.41) ALDH1A1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
US-11566023-B2 Oxazolidinone compounds, liposome compositions comprising oxazolidinone compounds and method of use thereof AKAGERA MEDICINES, INC. (US) 2023-01-31 US disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 US disclosed
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
US-20200323209-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD. (GB) 2020-10-15 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 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 (6 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 CYP1A2 2385/4885ALDH1A1 776/4885HSD17B10 900/4885
US-20200323209-A1 AGRICULTURAL CHEMICALS DDT, CYP4X1, CYP1A2 CYP1A2 3/4885ALDH1A1 365/4885HSD17B10 199/4885
US-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 CYP1A2 14/4885ALDH1A1 561/4885HSD17B10 726/4885
US-11641858-B2 Agricultural chemicals DDT, CYP4X1, CYP1A2 CYP1A2 3/4885ALDH1A1 365/4885HSD17B10 199/4885
US-11566023-B2 Oxazolidinone compounds, liposome compositions comprising oxazolidinone compounds and method of use thereof OXA1L, THPO, TBCD CYP1A2 1270/4885ALDH1A1 2027/4885HSD17B10 602/4885
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS CYP3A4, CYP2C8, CYP2E1 CYP1A2 14/4885ALDH1A1 561/4885HSD17B10 726/4885

“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.