SCHEMBL969038

SCHEMBL969038

Clc1cnc2scnc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31609671 1.00 PIK3CD (0.40) PIK3CDALDH1A1HSD17B10KDM4ETDP1
SCHEMBL15577565 0.74 DYRK1A (0.39) PIK3CDALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL31513554 0.74 PI4KA (0.36) PIK3CDALDH1A1HSD17B10
SCHEMBL1890058 0.74 PIK3CD (0.34) PIK3CDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL1053825 0.74 PI4KA (0.36) PIK3CDALDH1A1HSD17B10
SCHEMBL2054540 0.74 CYP1A2 (0.36) PIK3CDALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL29070960 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10L3MBTL1LMNACYP2C9
SCHEMBL18180231 0.69 EGFR (0.36) PIK3CDALDH1A1KDM4E
SCHEMBL4283276 0.69 PIK3CD (0.35) PIK3CDALDH1A1KDM4EL3MBTL1
SCHEMBL22758276 0.69 PIK3CD (0.32) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 PIK3CD 4855/4885ALDH1A1 2976/4885HSD17B10 1147/4885

“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.