SCHEMBL9741308

SCHEMBL9741308

Oc1nc(S)nc(O)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CALM1 P0DP23 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PABPC1 P11940 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
IDH1 O75874 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9744009 0.85 SMN1; SMN2 (0.44) SMN1; SMN2GAACYP2C9CYP2C19TSHR
SCHEMBL5483849 0.80 SMN1; SMN2 (0.48) SMN1; SMN2GAACYP2C9CYP2C19TSHR
SCHEMBL7604776 0.80 CYP2D6 (0.46) SMN1; SMN2GAACYP2C9CYP2C19TSHR
SCHEMBL17272795 0.76 LTB4R (0.39) GAACYP2C9CYP2C19HTTCALM1
SCHEMBL5474022 0.76 SMN1; SMN2 (0.48) SMN1; SMN2GAACYP2C9CYP2C19TSHR
SCHEMBL5477397 0.75 CALM1 (0.46) SMN1; SMN2GAACYP2C9CYP2C19TSHR
Bicarbonate SCHEMBL11028140 0.74 ALDH1A1 (0.49) SMN1; SMN2GAATSHRHTTMAPT
SCHEMBL27936593 0.72 CALM1 (0.48) SMN1; SMN2CYP2C9CYP2C19TSHRHTT
SCHEMBL1442779 0.72 NPC1 (0.54) SMN1; SMN2HTTMAPTKMT2AALDH1A1
Benzylthiouracil SCHEMBL2353689 0.72 BCL2 (0.41) SMN1; SMN2CALM1BCL2BCL2L1KMT2A

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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
WO-1992006965-A1 HERBICIDAL SULFONYLUREA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1992-04-30 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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides DPYD, DHFR, TYMP SMN1; SMN2 3837/4885GAA 2535/4885CYP2C9 104/4885

“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.