SCHEMBL3616241

SCHEMBL3616241

CCn1c(C=O)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.65
▸ ALDH1A1 P00352 8/20 0.65
▸ HPGD P15428 6/20 0.65
▸ MAPT P10636 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ GLA P06280 2/20 0.65
▸ GAA P10253 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ PKM P14618 2/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ POLB P06746 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ VDR P11473 2/20 0.58
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ MEN1 O00255 2/20 0.56

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
SCHEMBL9866483 0.87 ALDH1A1 (0.67) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL9674712 0.83 VDR (0.58) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4921054 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL9673595 0.82 VDR (0.55) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28426171 0.82 LMNA (0.68) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4727347 0.80 VDR (0.56) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2082562 0.80 LMNA (0.57) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2084701 0.80 VDR (0.72) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2084256 0.80 VDR (0.52) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL19863783 0.80 RAB9A (0.69) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. 2024-08-01 — — US disclosed
CN-111393372-B Benzimidazole derivative and preparation method and application thereof 中国药科大学 2022-08-26 — — CN disclosed
CN-111393372-A Benzimidazole derivative and preparation method and application thereof 中国药科大学 2020-07-10 — — CN disclosed
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-03 — — US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 — — US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 — — US disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 — — US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 — — EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 — — US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 — — EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 — — WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 — — US disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 — — US disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 — — 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 (5 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC KDM4E 1421/4885ALDH1A1 634/4885HPGD 1110/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC KDM4E 1421/4885ALDH1A1 634/4885HPGD 1110/4885
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex EIF4E, EIF4A1, EIF4A2 KDM4E 1264/4885ALDH1A1 4269/4885HPGD 3562/4885
US-20240254118-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT9 KDM4E 60/4885ALDH1A1 3108/4885HPGD 2998/4885
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex EIF4E, EIF4A1, EIF4A2 KDM4E 1264/4885ALDH1A1 4269/4885HPGD 3562/4885

“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.

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