SCHEMBL6808928

SCHEMBL6808928

N=C(N)c1ccccc1[C]=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.39
PRSS1 P07477 3/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
C1S P09871 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
WDR5 P61964 1/20 0.35
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
NQO2 P16083 1/20 0.33
KLKB1 P03952 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
SCHEMBL6808280 0.80 NPC1 (0.40) F2F10F12F7F3
SCHEMBL11229875 0.80 TSHR (0.41) F2F10F12F7F3
SCHEMBL10495281 0.77 F2 (0.55) F2F10F12F7F3
SCHEMBL18574571 0.75 NPC1 (0.68) F2F10F12F7F3
Hydrochloric Acid SCHEMBL29008442 0.75 BLM (0.57) F2F10F12F7F3
Hydrochloric Acid SCHEMBL28555632 0.75 BLM (0.57) F2F10F12F7F3
SCHEMBL3066108 0.71 F2 (0.44) F2F10F12F7F3
SCHEMBL11773081 0.71 MIF (0.36) KMT2ANPC1KDM4EALDH1A1MAPT
SCHEMBL752611 0.70 F2 (0.48) F2F10F12F7F3
SCHEMBL652876 0.69 KDM4E (0.58) F2F10F12F7F3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014994-A1 Method for resolving chiral (2s) and (2r) chromanes ELI LILLY AND COMPANY 2004-01-22 US disclosed
EP-1292588-A1 METHODS FOR RESOLVING CHIRAL (2S) AND (2R) CHROMANES Eli Lilly & Company (US) 2003-03-19 EP disclosed
EP-1286982-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYLIC COMPOUNDS AND CHIRAL BNEZOPYRAN DERIVATIVES Eli Lilly & Company (US) 2003-03-05 EP disclosed
WO-2001094333-A2 PROCESS FOR THE PREPARATION OF BENZOYL SUBSTITUTED BICYCLIC COMPOUNDS AND CHIRAL BENZOPYRAN DERIVATIVES ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed
WO-2001094334-A1 METHODS FOR RESOLVING CHIRAL (2S) AND (2R) CHROMANES ELI LILLY & COMPANY (US) 2001-12-13 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-20040014994-A1 Method for resolving chiral (2s) and (2r) chromanes TBXA2R, TBXAS1, SRR F2 7/4885F10 392/4885F12 363/4885

“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.