SCHEMBL31044971

SCHEMBL31044971

FC(F)(F)c1cc2c(Cl)nc(-c3ccccn3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
BLM P54132 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
MDM2 Q00987 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5123515 1.00 METAP1 (0.51) METAP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5121550 0.82 METAP1 (0.57) METAP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31044667 0.82 METAP1 (0.57) METAP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5116041 0.82 ADORA2A (0.41) METAP1NPC1RAB9AADORA2AADORA1
SCHEMBL5129155 0.81 LMNA (0.56) METAP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31045280 0.80 METAP1 (0.55) METAP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5115112 0.80 METAP1 (0.55) METAP1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5128614 0.77 KMT2A (0.60) METAP1SMN1; SMN2NPC1LMNAADORA2A
SCHEMBL5123197 0.77 USP1 (0.54) METAP1NPC1ADORA2AADORA1TDP1
SCHEMBL5128671 0.76 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHPGD

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 METAP1 1832/4885SMN1; SMN2 4189/4885NPC1 626/4885

“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.