SCHEMBL14970909

SCHEMBL14970909

Clc1ccc(CSc2nccn2Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
CYP3A4 P08684 3/20 1.00
CYP2D6 P10635 3/20 1.00
CYP2C9 P11712 3/20 1.00
CYP2C19 P33261 3/20 1.00
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ALOX12 P18054 1/20 1.00
LMNA P02545 4/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
DRD2 P14416 1/20 0.53
TBXA2R P21731 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.50
TP53 P04637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALOX15B O15296 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL5801622 0.78 ALDH1A1 (0.63) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25723979 0.77 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1520402 0.75 ALDH1A1 (0.80) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4265964 0.75 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7215316 0.75 ALDH1A1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7215334 0.75 MEN1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14028269 0.74 KMT2A (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14970872 0.74 MEN1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14970859 0.73 ALDH1A1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1520491 0.73 MEN1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 2988/4885CYP3A4 2842/4885CYP2D6 1609/4885

“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.