SCHEMBL6327035

SCHEMBL6327035

CN(C)Cc1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.48
KDR P35968 3/20 0.43
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
F10 P00742 1/20 0.39
KLKB1 P03952 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCKBR P32239 2/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 1/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GALR3 O60755 1/20 0.36
ROCK2 O75116 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6327539 1.00 LSS (0.48) LSSKDRTMEM97SIGMAR1F10
SCHEMBL6323531 0.91 IDO1 (0.40) LSSKDRTDP1IDO1TDO2
SCHEMBL30979384 0.91 IDO1 (0.40) LSSKDRTDP1IDO1TDO2
SCHEMBL6323528 0.91 IDO1 (0.40) LSSKDRTDP1IDO1TDO2
SCHEMBL6326859 0.91 MAPT (0.41) LSSKDRTDP1IDO1TDO2
SCHEMBL6326854 0.91 MAPT (0.41) LSSKDRTDP1IDO1TDO2
SCHEMBL227369 0.90 LSS (0.48) LSSKDRTMEM97SIGMAR1F10
SCHEMBL227370 0.90 LSS (0.48) LSSKDRTMEM97SIGMAR1F10
SCHEMBL6318598 0.89 KDR (0.43) LSSKDRTMEM97SIGMAR1CCKBR
SCHEMBL6318597 0.89 KDR (0.43) LSSKDRTMEM97SIGMAR1CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 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 (2 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 LSS 3004/4885KDR 3099/4885TMEM97 3869/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 LSS 3807/4885KDR 448/4885TMEM97 4169/4885

“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.