SCHEMBL31044892

SCHEMBL31044892

CCc1nc(NCCOc2ccc(Br)cc2)c2cc(C)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL31044964 0.90 RAB9A (0.46) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL31044753 0.89 PIK3CD (0.41) KDM4EALDH1A1RAB9ANPC1GALR3
SCHEMBL31045281 0.86 DRD4 (0.41) DRD4DRD2DRD3RAB9ANPC1
SCHEMBL31045156 0.86 GBA1 (0.41) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL31044699 0.81 NPC1 (0.39) KDM4EALDH1A1RAB9ANPC1GALR3
SCHEMBL20667923 0.81 ALDH1A1 (0.42) KDM4EALDH1A1RAB9ANPC1GALR3
SCHEMBL20667918 0.79 HPGD (0.40) KDM4EALDH1A1RAB9ANPC1GALR3
SCHEMBL20668004 0.76 ALDH1A1 (0.41) KDM4EALDH1A1RAB9ANPC1GALR3
SCHEMBL5438115 0.76 HTR7 (0.45) DRD4DRD2KDM4EALDH1A1RAB9A
SCHEMBL31045249 0.75 RAB9A (0.44) RAB9ANPC1GALR3NR2F2MEN1

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 — — 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 DRD4 3817/4885DRD2 4587/4885DRD3 4401/4885

“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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