SCHEMBL14970859

SCHEMBL14970859

O=C(O)CCSc1nccn1Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX12 P18054 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 5/20 0.57
POLB P06746 2/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL1520402 0.86 ALDH1A1 (0.80) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL10424245 0.83 HPGD (0.49) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3459569 0.80 ATM (0.63) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL1520491 0.78 MEN1 (0.58) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL5801622 0.77 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL25723979 0.76 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL10621322 0.75 HSP90AA1 (0.60) ALDH1A1LMNA
SCHEMBL10535745 0.75 RAB9A (0.44) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL10424254 0.75 ALDH1A1 (0.64) ALDH1A1HPGDMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7877038 0.74 HSP90AA1 (0.59) ALDH1A1LMNA

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 2191/4885HPGD 1501/4885MEN1 2244/4885

“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.