SCHEMBL12958935

SCHEMBL12958935

Cc1ccc(CSc2nc3c(=O)[nH]c(N)nc3n2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.50
▸ DHFR P00374 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SCN9A Q15858 2/20 0.45
▸ RECQL P46063 1/20 0.43
▸ SCN5A Q14524 1/20 0.42
▸ PNP P00491 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL12820578 0.89 LMNA (0.53) MEN1KMT2AALDH1A1LMNASCN9A
SCHEMBL12958938 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL12820574 0.77 PNP (0.50) XDHDHFRMEN1KMT2AALDH1A1
SCHEMBL23920921 0.75 PNP (0.44) TSHRHSD17B10RECQLPNP
SCHEMBL23921066 0.74 XDH (0.46) XDHMEN1KMT2ALMNAHPGD
SCHEMBL12820641 0.74 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL23921136 0.73 PNP (0.42) ALDH1A1HPGDTSHRHSD17B10RECQL
SCHEMBL22039821 0.73 PNP (0.61) XDHDHFRPNP
SCHEMBL10506332 0.73 PNP (0.76) XDHDHFRPNP
SCHEMBL25932075 0.72 KDM4E (0.45) ALDH1A1PNPSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 — — 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-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain GGH, GGPS1, GGT1 XDH 1422/4885DHFR 66/4885MEN1 4594/4885

“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.

Send feedback