SCHEMBL31087172

SCHEMBL31087172

NCCCNc1nc2c(c(=O)[nH]1)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.56
▸ PKM P14618 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MMP13 P45452 1/20 0.45
▸ ACHE P22303 3/20 0.43
▸ BCHE P06276 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL31087188 0.91 HPGD (0.59) HPGDPKML3MBTL1MAPTLMNA
SCHEMBL31087165 0.75 HPGD (0.46) HPGDPKML3MBTL1MAPTLMNA
SCHEMBL18689591 0.73 PKM (0.55) HPGDPKML3MBTL1MAPTLMNA
SCHEMBL31087175 0.72 HPGD (1.00) HPGDPKML3MBTL1
SCHEMBL14637875 0.70 PARP1 (0.50) HPGDMAPTLMNASMN1; SMN2NPC1
SCHEMBL14638235 0.69 HPGD (0.51) HPGDMAPTLMNASMN1; SMN2NPC1
SCHEMBL3680582 0.69 MAPT (0.52) HPGDPKML3MBTL1MAPTLMNA
SCHEMBL31087189 0.68 MAPT (0.50) HPGDPKML3MBTL1MAPTSMN1; SMN2
SCHEMBL18712054 0.68 MAPT (0.54) HPGDPKML3MBTL1MAPTLMNA
SCHEMBL10568181 0.68 HPGD (0.53) HPGDMAPTLMNASMN1; SMN2NPC1

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-20240307394-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-09-19 — — 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-20240307394-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS MRGPRX1, MRGPRX4, MRGPRX2 HPGD 831/4885PKM 3697/4885L3MBTL1 4523/4885

“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