SCHEMBL14970816

SCHEMBL14970816

O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.65
▸ GAA P10253 3/20 0.65
▸ HTT P42858 2/20 0.65
▸ MAPT P10636 8/20 0.61
▸ RAB9A P51151 2/20 0.59
▸ KDM4E B2RXH2 6/20 0.58
▸ HPGD P15428 5/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ LMNA P02545 5/20 0.58
▸ ALOX15 P16050 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ KMT2A Q03164 2/20 0.55

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
SCHEMBL27857984 0.80 ALDH1A1 (0.59) ALDH1A1GAAHTTMAPTRAB9A
SCHEMBL1898854 0.78 MAPT (0.74) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL1897991 0.77 MAPT (0.72) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL2181677 0.74 RAB9A (0.69) ALDH1A1GAAHTTMAPTRAB9A
SCHEMBL25153579 0.74 ALDH1A1 (0.64) ALDH1A1GAAHTTMAPTRAB9A
SCHEMBL13621738 0.74 MAPT (0.80) ALDH1A1GAAHTTMAPTRAB9A
SCHEMBL1898383 0.74 APOBEC3G (0.77) ALDH1A1GAAHTTMAPTKDM4E
SCHEMBL3467903 0.72 KMT2A (0.69) ALDH1A1GAAMAPTRAB9AKDM4E
SCHEMBL14970890 0.72 CYP3A4 (0.78) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL14966349 0.72 RAB9A (1.00) ALDH1A1GAAMAPTRAB9AKDM4E

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
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
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 2191/4885GAA 68/4885HTT 1221/4885

“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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