SCHEMBL3881237

SCHEMBL3881237

Cc1cc(CO)c2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
DHODH Q02127 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
MPO P05164 1/20 0.43
RAB9A P51151 1/20 0.43
CASP3 P42574 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13059432 0.85 KDM4E (0.47) ALDH1A1KDM4EHSD17B10DHODHSMN1; SMN2
SCHEMBL6628232 0.83 KDM4E (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL3881739 0.83 LMNA (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3768853 0.82 KDM4E (0.45) ALDH1A1KDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL25820060 0.81 GAA (0.45) ALDH1A1KDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL1366357 0.80 CYP1A2 (0.62) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL26649440 0.80 POLB (0.40) ALDH1A1KDM4EDHODHGAAMPO
SCHEMBL29868726 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10DHODHSMN1; SMN2
SCHEMBL28877520 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10DHODHSMN1; SMN2
SCHEMBL3906125 0.77 GAA (0.47) ALDH1A1KDM4EHSD17B10DHODHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219456-A1 QUINOLINE-BASED HISTONE DEACETYLASE INHIBITORY SUBSTANCES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2023-11-16 WO disclosed
CN-109776407-B Preparation method of 2-methyl-4-hydroxymethyl quinoline and derivatives thereof 济南大学 2022-04-12 CN disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP 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 (1 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 ALDH1A1 1468/4885KDM4E 2703/4885HSD17B10 271/4885

“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.