SCHEMBL31087187

SCHEMBL31087187

O=c1[nH]c(NC2CCNCC2)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PIM1 P11309 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ EHMT2 Q96KQ7 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ FYN P06241 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
SCHEMBL31087174 0.73 SPR (0.52) MAPTLMNANPC1RAB9AHPGD
SCHEMBL18689591 0.70 PKM (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3680582 0.69 MAPT (0.52) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL18712054 0.68 MAPT (0.54) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL31087188 0.68 HPGD (0.59) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL30169423 0.68 KDM4E (0.52) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9878904 0.67 MAPT (0.75) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL12526910 0.67 EHMT2 (0.44) EHMT2BRD4ATAD2
SCHEMBL1035103 0.66 HPGD (0.77) HPGDALDH1A1TSHR
SCHEMBL31087172 0.66 HPGD (0.56) MAPTLMNASMN1; SMN2NPC1RAB9A

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 MAPT 3797/4885LMNA 3977/4885SMN1; SMN2 4666/4885

“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.

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