SCHEMBL31044856

SCHEMBL31044856

Cc1cc2c(NCCCn3cccc3)nc(C(F)(F)F)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TLR7 Q9NYK1 2/20 0.39
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ SOD1 P00441 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CCNE2 O96020 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL31044677 0.93 TLR7 (0.40) LMNAMAPTHTTSMN1; SMN2TLR7
SCHEMBL20668008 0.83 TLR7 (0.46) LMNAMAPTHTTSMN1; SMN2TLR7
SCHEMBL31045010 0.83 TLR7 (0.43) LMNAMAPTHTTSMN1; SMN2TLR7
SCHEMBL20668010 0.82 LMNA (0.41) LMNAMAPTHTTSMN1; SMN2TLR7
SCHEMBL31044831 0.82 TLR7 (0.48) LMNAMAPTHTTSMN1; SMN2TLR7
SCHEMBL31044672 0.82 HSD17B10 (0.40) LMNAGSK3AGSK3BALDH1A1KMT2A
SCHEMBL20667981 0.80 TLR7 (0.46) TLR7KMT2ASIRT5MEN1CCNE2
SCHEMBL31045380 0.80 TLR7 (0.46) TLR7KMT2ASIRT5MEN1CCNE2
SCHEMBL31044781 0.79 TLR7 (0.43) MAPTTLR7ALDH1A1KMT2ASIRT5
SCHEMBL31045049 0.78 TLR7 (0.42) LMNAMAPTHTTSMN1; SMN2TLR7

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 LMNA 1238/4885MAPT 1615/4885HTT 4158/4885

“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