SCHEMBL21378121

SCHEMBL21378121

O=C(Nc1ccccn1)C1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ GAA P10253 2/20 0.58
▸ MMP2 P08253 2/20 0.58
▸ MMP9 P14780 2/20 0.58
▸ TSHR P16473 4/20 0.58
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ PKM P14618 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
SCHEMBL20271939 1.00 LMNA (0.58) LMNAALDH1A1SMN1; SMN2GAAMMP2
SCHEMBL21378114 0.86 LMNA (0.61) LMNAALDH1A1SMN1; SMN2GAAMMP2
SCHEMBL20271521 0.86 LMNA (0.61) LMNAALDH1A1SMN1; SMN2GAAMMP2
SCHEMBL21378122 0.84 MMP2 (0.69) LMNAALDH1A1MMP2MMP9TSHR
SCHEMBL21378115 0.79 BRD4 (0.78) LMNAALDH1A1SMN1; SMN2GAATSHR
SCHEMBL20271590 0.79 BRD4 (0.78) LMNAALDH1A1SMN1; SMN2GAATSHR
SCHEMBL16763315 0.77 MMP2 (0.61) ALDH1A1MMP2MMP9MAPTMAPK1
SCHEMBL16763314 0.77 MMP2 (0.61) ALDH1A1MMP2MMP9MAPTMAPK1
SCHEMBL3720939 0.76 MMP2 (0.60) ALDH1A1MMP2MMP9HTTPOLB
SCHEMBL26616350 0.76 MMP2 (0.60) ALDH1A1MMP2MMP9HTTPOLB

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
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 — — EP disclosed
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-14 — — US disclosed
US-10975059-B2 Small molecule BRD4 modulators for HIV epigenetic regulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-13 — — US disclosed
US-20190292168-A1 NOVEL SMALL MOLECULE BRD4 MODULATORS FOR HIV EPIGENETIC REGULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-26 — — 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 (3 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-10975059-B2 Small molecule BRD4 modulators for HIV epigenetic regulation BRD4, BICRA, BRD3 LMNA 3677/4885ALDH1A1 4499/4885SMN1; SMN2 4476/4885
US-20190292168-A1 NOVEL SMALL MOLECULE BRD4 MODULATORS FOR HIV EPIGENETIC REGULATION BRD4, BICRA, BRD3 LMNA 3706/4885ALDH1A1 4553/4885SMN1; SMN2 4485/4885
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BRD4, NFKBIA, NFRKB LMNA 1955/4885ALDH1A1 4628/4885SMN1; SMN2 3064/4885

“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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