SCHEMBL14906008

SCHEMBL14906008

CCOC(=O)c1ccccc1CCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
TSHR P16473 4/20 0.56
SCN1A P35498 4/20 0.55
SCN2A Q99250 4/20 0.55
SCN3A Q9NY46 4/20 0.55
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAOA P21397 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL16672724 0.88 SCN1A (0.68) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL11778328 0.86 TSHR (0.56) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL11582112 0.83 SCN1A (0.60) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL6600799 0.83 TSHR (0.65) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL9468320 0.82 TSHR (0.54) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL13377440 0.80 TSHR (0.65) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL16672495 0.80 TSHR (0.65) ALDH1A1HSD17B10TSHRSCN1ASCN2A
SCHEMBL8733285 0.80 TSHR (0.69) ALDH1A1HSD17B10TSHRSCN1ASCN2A
4,4'-Methylenedianiline SCHEMBL28185051 0.78 ALDH1A1 (0.77) ALDH1A1HSD17B10TSHRLMNACYP1A2
SCHEMBL578128 0.78 TSHR (0.77) ALDH1A1HSD17B10TSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
WO-2013062065-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE アステラス製薬株式会社 (JP) 2013-05-02 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-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI ALDH1A1 2845/4885HSD17B10 2734/4885TSHR 2316/4885

“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.