SCHEMBL24317554

SCHEMBL24317554

COc1ccc(-c2nnc(-c3nnc(-c4ccc(OC)cc4)[nH]3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
MPI P34949 1/20 0.52
GFER P55789 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.51
SCN2A Q99250 1/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL418165 0.86 KDM4E (0.51) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL5636442 0.84 KDM4E (0.46) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL1691510 0.84 KDM4E (0.53) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL15332136 0.80 ATM (0.46) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL19428324 0.79 KDM4E (0.45) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL11227014 0.77 ATM (0.44) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL2755241 0.74 MEN1 (0.51) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL672108 0.74 KDM4E (0.50) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL27876872 0.74 KDM4E (0.48) KDM4EALDH1A1GAAHPGDMPI
SCHEMBL197522 0.72 CA1 (0.79) KDM4EALDH1A1GAATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251042-A1 TOTAL SYNTHESIS OF PIRFENIDONE Suzhou Fude Zhaofeng Biochemical Technology Co., Ltd (CN) 2022-08-11 US disclosed
WO-2022052391-A1 METHOD FOR SYNTHESIZING VORTIOXETINE 苏州富德兆丰生化科技有限公司 2022-03-17 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-20220251042-A1 TOTAL SYNTHESIS OF PIRFENIDONE PIR, CYP2B6, CYP26B1 KDM4E 386/4885ALDH1A1 50/4885GAA 4120/4885

“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.