SCHEMBL970076

SCHEMBL970076

CN(C)c1cccc(-c2ccc(Br)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.45
NOTUM Q6P988 2/20 0.45
FFAR1 O14842 1/20 0.43
FYN P06241 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PNPLA2 Q96AD5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LRRK2 Q5S007 1/20 0.40
IP6K1 Q92551 1/20 0.40
GRK5 P34947 1/20 0.40
GABRA1 P14867 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
SCHEMBL19698858 0.89 ALDH1A1 (0.54) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL29520575 0.85 PNPLA2 (0.53) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL30602821 0.85 ALDH1A1 (0.58) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL17775059 0.83 PNPLA2 (0.51) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL1252082 0.83 ALDH1A1 (0.52) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL12694278 0.82 ALDH1A1 (0.50) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL16378768 0.81 ALDH1A1 (0.50) ALDH1A1TSHRNOTUMFFAR1FYN
SCHEMBL3785712 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRNOTUMFFAR1
SCHEMBL19429299 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL19994714 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRSMN1; SMN2KDM4E

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 ALDH1A1 2976/4885MAPK1 452/4885TSHR 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.