SCHEMBL20667918

SCHEMBL20667918

CCc1nc(NCCCOC)c2cc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ GBA1 P04062 1/20 0.35

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
SCHEMBL20667923 0.92 ALDH1A1 (0.42) HPGDTSHRHTTLMNAKDM4E
SCHEMBL20668004 0.87 ALDH1A1 (0.41) NPSR1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL5439734 0.86 KDM4E (0.45) HPGDTSHRNPSR1HTTLMNA
SCHEMBL31045156 0.85 GBA1 (0.41) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL20667921 0.85 KDM4E (0.42) HPGDTSHRHTTLMNASMN1; SMN2
SCHEMBL31045281 0.83 DRD4 (0.41) NPC1GALR3NR2F2RAB9AKMT2A
SCHEMBL20667985 0.82 RAD52 (0.40) HTTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL31044964 0.82 RAB9A (0.46) HTTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20659871 0.81 KDM4E (0.37) TSHRLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL29991747 0.81 KDM4E (0.37) TSHRLMNASMN1; SMN2KDM4EALDH1A1

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-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 — — US disclosed
US-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 — — US disclosed
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 — — 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-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS TYMS, DPYD, UMPS HPGD 430/4885TSHR 2907/4885NPSR1 4548/4885

“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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