SCHEMBL23717434

SCHEMBL23717434

CCCC(C)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL14079397 0.88 SMN1; SMN2 (0.55) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL1148691 0.87 TDP1 (0.54) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL2962266 0.82 SMN1; SMN2 (0.60) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL23542122 0.81 TDP1 (0.49) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL19069159 0.79 GAA (0.55) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL6676325 0.79 SMN1; SMN2 (0.57) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL28517356 0.79 TDP1 (0.61) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL16956994 0.79 SMN1; SMN2 (0.57) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL21316561 0.78 ALDH1A1 (0.51) LMNASMN1; SMN2TDP1ALDH1A1CYP1A2
SCHEMBL20623073 0.78 TDP1 (0.46) SMN1; SMN2TDP1HTTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 LMNA 1302/4885SMN1; SMN2 855/4885TDP1 3903/4885

“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.