SCHEMBL6587388

SCHEMBL6587388

CCC(=O)c1cc(OC)ccc1C1=NC(C)(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TYK2 P29597 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30168563 1.00 SMN1; SMN2 (0.37) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24077329 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12897084 0.83 KDM4E (0.42) KDM4ELMNAHRH3MAPT
SCHEMBL6587245 0.82 ALDH1A1 (0.49) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL6587148 0.81 POLB (0.46) NPC1RAB9A
SCHEMBL7447080 0.80 HSD17B10 (0.38) KDM4EHPGDHRH3HSD17B10
SCHEMBL9607174 0.78 KDM4E (0.42) SMN1; SMN2KDM4ENPC1HRH3MAPT
SCHEMBL20921291 0.77 KDM4E (0.43) KDM4ECYP1A2CYP2D6LMNAHRH3
SCHEMBL6701333 0.77 PTPN1 (0.45) SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24076875 0.76 ADRA1A (0.37) SMN1; SMN2KDM4ECYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP disclosed
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 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 (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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B SMN1; SMN2 4739/4885KDM4E 3777/4885CYP1A2 373/4885

“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.