SCHEMBL970704

SCHEMBL970704

O=C(c1nccs1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.50
SMO Q99835 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 8/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.42
TP53 P04637 2/20 0.41
MGLL Q99685 3/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RBBP9 O75884 1/20 0.40
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL5130274 0.98 RBP4 (0.51) RBP4SMOALDH1A1HPGDGAA
SCHEMBL16862022 0.84 SMO (0.54) RBP4SMOALDH1A1MGLLABL1
SCHEMBL17761042 0.84 RBP4 (0.49) RBP4SMOALDH1A1HPGDMGLL
Tert-Butyl Formate SCHEMBL27964275 0.84 RBP4 (0.47) RBP4SMOALDH1A1HPGDGAA
SCHEMBL12181507 0.83 L3MBTL3 (0.55) RBP4
SCHEMBL23213437 0.83 HPGD (0.49) RBP4SMOALDH1A1HPGDNPC1
SCHEMBL28740942 0.83 RBP4 (0.48) RBP4SMOALDH1A1MGLLABL1
SCHEMBL694233 0.83 RBP4 (0.48) RBP4SMOALDH1A1HPGDMGLL
Ethylene SCHEMBL8381035 0.80 RBP4 (0.46) RBP4SMOALDH1A1MGLLABL1
SCHEMBL7135868 0.79 ALDH1A1 (0.42) RBP4ALDH1A1HPGDNPC1RAB9A

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 RBP4 3866/4885SMO 4214/4885ALDH1A1 2976/4885

“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.