SCHEMBL14970858

SCHEMBL14970858

Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.69
▸ ATM Q13315 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ HSD17B10 Q99714 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ TSHR P16473 2/20 0.52
▸ ABCB1 P08183 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47

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
SCHEMBL18719836 0.79 ATM (0.97) ALDH1A1ATMSMN1; SMN2HSD17B10USP2
SCHEMBL29986879 0.78 ATM (0.64) ALDH1A1ATMSMN1; SMN2HSD17B10MAPT
SCHEMBL24816151 0.78 ATM (0.64) ALDH1A1ATMSMN1; SMN2HSD17B10MAPT
SCHEMBL2024100 0.78 MAPT (0.75) ALDH1A1SMN1; SMN2HSD17B10USP2ALOX15
SCHEMBL5060901 0.73 SMN1; SMN2 (0.66) ALDH1A1ATMSMN1; SMN2HSD17B10USP2
SCHEMBL544161 0.72 SIGMAR1 (0.68) ALDH1A1SMN1; SMN2MAPK1TSHRHTT
SCHEMBL15224106 0.70 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2HTTPOLBLMNA
Hydrochloric Acid SCHEMBL31462263 0.70 SIGMAR1 (0.67) ALDH1A1SMN1; SMN2MAPK1TSHRHTT
SCHEMBL5064043 0.70 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPK1TSHRHTT
SCHEMBL6681439 0.70 ALDH1A1 (0.83) ALDH1A1ATMSMN1; SMN2ALOX15HTT

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-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 — — US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 — — US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 — — 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-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA ALDH1A1 2191/4885ATM 3493/4885SMN1; SMN2 2561/4885

“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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