SCHEMBL16998639

SCHEMBL16998639

Cc1ccc(Cl)c(CSc2nc(C)cc(O)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL16998677 0.89 NPSR1 (0.47) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL843977 0.89 HPGD (0.44) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL844908 0.86 MGAM (0.45) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL844395 0.86 HPGD (0.43) HPGDTSHRMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL844465 0.85 HPGD (0.42) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL5314567 0.84 HPGD (0.60) HPGDTSHRMEN1KMT2AMAPT
SCHEMBL844690 0.84 HPGD (0.44) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL13082796 0.84 HPGD (0.41) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL16998665 0.83 TSHR (0.45) HPGDTSHRMEN1KMT2ANPSR1
SCHEMBL843841 0.81 MAPT (0.55) HPGDMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP HPGD 342/4885TSHR 4661/4885MEN1 4378/4885

“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.