SCHEMBL6326735

SCHEMBL6326735

CC(=O)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.50
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
KDR P35968 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
IDO1 P14902 3/20 0.43
TDO2 P48775 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
TGM2 P21980 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6326737 1.00 AGTR1 (0.50) AGTR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6320785 0.91 ALDH1A1 (0.49) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL6320790 0.91 ALDH1A1 (0.49) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL6319003 0.90 PIM1 (0.50) MAPTNPC1RAB9ATDP1KDR
SCHEMBL6320473 0.90 PIM1 (0.50) MAPTNPC1RAB9ATDP1KDR
SCHEMBL6320369 0.88 KDR (0.48) MAPTSMN1; SMN2TDP1KDRKMT2A
SCHEMBL6320376 0.88 KDR (0.48) MAPTSMN1; SMN2TDP1KDRKMT2A
SCHEMBL7020035 0.88 TDP1 (0.43) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL7020030 0.88 TDP1 (0.43) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6322523 0.88 KDR (0.44) MAPTSMN1; SMN2TDP1KDRKMT2A

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-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 (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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 AGTR1 309/4885MAPT 3817/4885SMN1; SMN2 4425/4885

“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.