SCHEMBL4074986

SCHEMBL4074986

c1cc(CCOC2CCCCO2)nc(NC2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
CTSK P43235 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAOB P27338 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNT1 O60563 3/20 0.33
DHFR P00374 1/20 0.32
HPGD P15428 1/20 0.32
P2RX3 P56373 2/20 0.32

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
SCHEMBL4067951 0.80 KDM4C (0.59) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL4073230 0.80 KDM4C (0.59) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL8235051 0.80 KDM4C (0.59) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL23355719 0.76 KDM4C (0.55) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL28935874 0.75 KDM4C (0.65) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL4067162 0.74 CTSK (0.50) ITGB1ITGA5CTSKKMT2AMEN1
SCHEMBL25282359 0.71 NPC1 (0.50) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL2633488 0.70 KDM4C (0.56) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL3901395 0.70 KDM4C (0.47) KDM4CL3MBTL1NPC1RAB9AKMT2A
SCHEMBL6879618 0.69 KDM4C (0.58) KDM4CL3MBTL1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B KDM4C 3136/4885L3MBTL1 432/4885NPC1 4467/4885

“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.