SCHEMBL3140841

SCHEMBL3140841

CCCCCN(CC(=O)OCC)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
LTA4H P09960 1/20 0.41
PPARG P37231 1/20 0.41
SOAT1 P35610 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
ESR1 P03372 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL1027289 0.88 SMN1; SMN2 (0.45) SCN1ASCN2ASCN3AALDH1A1SMN1; SMN2
SCHEMBL3135698 0.85 SOAT1 (0.44) SCN1ASCN2ASCN3AALDH1A1TP53
SCHEMBL18498551 0.81 CRHR1 (0.44) SCN1ASCN2ASCN3ASOAT1PTPN1
SCHEMBL28724605 0.79 KCNH2 (0.46) ALDH1A1TP53SOAT1
SCHEMBL3302286 0.78 KCNH2 (0.45) SOAT1
SCHEMBL11234182 0.77 PPARG (0.55) ALDH1A1TP53LTA4HPPARGSMN1; SMN2
SCHEMBL12983559 0.76 CRHR1 (0.46) SCN1ASCN2ASCN3ASOAT1ESR1
SCHEMBL18055614 0.74 TDP1 (0.53) ALDH1A1LTA4HPPARGSMN1; SMN2KDM4E
SCHEMBL9188630 0.73 PPARG (0.54) ALDH1A1TP53LTA4HPPARGSMN1; SMN2
SCHEMBL11325151 0.72 ALOX5 (0.48) SCN1ASCN2ASCN3AALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216772-A1 Novel Phenantridine Analogues and Uses Thereof 4SC AG (DE) 2010-08-26 US disclosed
EP-1740548-A1 NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES 4SC AG (DE) 2007-01-10 EP disclosed
WO-2005105752-A1 NOVEL PHENANTRIDINE ANALOGUES AND THEIR USES AS INHIBITORS OF HYPERPROLIFERATION OF T CELLS AND/OR KERATINOCYTES 4SC AG (DE) 2005-11-10 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-20100216772-A1 Novel Phenantridine Analogues and Uses Thereof P2RX4, P2RX5, CLIC4 SCN1A 652/4885SCN2A 617/4885SCN3A 466/4885

“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.