SCHEMBL3606649

SCHEMBL3606649

COC(=O)c1sc(-c2ccc(F)cc2)cc1-c1nnn(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.56
KDM4E B2RXH2 7/20 0.48
MAPT P10636 5/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 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
SCHEMBL3600810 0.87 PTPN1 (0.46) IKBKBKDM4EMAPTPOLBNPC1
SCHEMBL3596170 0.81 IKBKB (0.55) IKBKBKDM4EMAPTTP53POLB
SCHEMBL3324565 0.80 IKBKB (0.38) IKBKBKDM4EALDH1A1TUBB4ATUBB
SCHEMBL3324569 0.80 IKBKB (0.38) IKBKBKDM4EALDH1A1TUBB4ATUBB
SCHEMBL3608683 0.79 MAPK8 (0.42) KDM4EMAPTTP53POLBNPC1
SCHEMBL3608687 0.78 MAPK8 (0.42) KDM4ETP53POLBNPC1SMN1; SMN2
SCHEMBL3609666 0.78 TRPM8 (0.47) KDM4ENPC1RAB9ASMN1; SMN2TRPM8
SCHEMBL3329517 0.76 GPER1 (0.41) IKBKBKDM4EMAPTTRPM8MAPK10
SCHEMBL3329510 0.76 GPER1 (0.41) IKBKBKDM4EMAPTTRPM8MAPK10
SCHEMBL3607560 0.76 PDE4D (0.44) TP53NPC1RAB9ATRPM8HPGD

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 IKBKB 1465/4885KDM4E 4236/4885MAPT 4883/4885

“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.