SCHEMBL970622

SCHEMBL970622

COCC(=O)N(C)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MLYCD O95822 2/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GRM5 P41594 1/20 0.40
HSP90AA1 P07900 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3941842 0.82 PPIB (0.52) HPGDALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL795799 0.81 KMT2A (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMLYCD
SCHEMBL23704985 0.81 HPGD (0.45) HPGDALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL13041535 0.79 ALDH1A1 (0.42) HPGDALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL28347861 0.79 GSK3B (0.45) HPGDALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL3060224 0.79 MLYCD (0.50) MEN1KMT2AMLYCD
SCHEMBL28508705 0.78 ALDH1A1 (0.41) HPGDALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL7502077 0.78 ALDH1A1 (0.41) HPGDALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL1016826 0.77 HPGD (0.44) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3936872 0.77 MAPT (0.60) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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-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
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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 HPGD 2051/4885ALDH1A1 2976/4885TSHR 1003/4885

“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.