SCHEMBL30003977

SCHEMBL30003977

CC(=O)c1ccc(SCCCCl)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
CXCR2 P25025 6/20 0.45
CXCR1 P25024 5/20 0.45
HRH3 Q9Y5N1 3/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
PLA2G7 Q13093 1/20 0.37
KCNJ1 P48048 1/20 0.37

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
SCHEMBL24724107 1.00 KDM4E (0.47) KDM4ECXCR2CXCR1HRH3ALDH1A1
SCHEMBL25267844 0.84 MAPK1 (0.50) KDM4ECXCR2CXCR1ALDH1A1CYP1A2
SCHEMBL19781647 0.80 NPC1 (0.48) KDM4ECXCR2CXCR1HRH3ALDH1A1
SCHEMBL2715327 0.76 ALDH1A1 (0.42) KDM4ECXCR2CXCR1HRH3ALDH1A1
SCHEMBL9075726 0.76 HPGD (0.68) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL839476 0.75 ALDH1A1 (0.57) KDM4ECXCR2CXCR1ALDH1A1CYP1A2
SCHEMBL1091823 0.74 HPGD (0.50) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL30003144 0.74 HPGD (0.50) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL423594 0.73 L3MBTL1 (0.40) KDM4ECXCR2CXCR1ALDH1A1NPC1
SCHEMBL27385633 0.73 HPGD (0.48) KDM4ECXCR2CXCR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 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 (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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 KDM4E 3515/4885CXCR2 525/4885CXCR1 360/4885

“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.