SCHEMBL4834597

SCHEMBL4834597

Cn1ncc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MMP1 P03956 3/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
MITF O75030 1/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GFER P55789 1/20 0.42
CDK19 Q9BWU1 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
SCHEMBL4834611 1.00 RAB9A (0.47) RAB9AMEN1KMT2AMAPTMMP1
SCHEMBL4827107 0.91 ATM (0.48) RAB9AMEN1KMT2AMAPTMMP1
SCHEMBL4827102 0.91 ATM (0.48) RAB9AMEN1KMT2AMAPTMMP1
SCHEMBL4836097 0.91 MMP1 (0.49) RAB9AMEN1KMT2AMAPTMMP1
SCHEMBL4836090 0.91 MMP1 (0.49) RAB9AMEN1KMT2AMAPTMMP1
SCHEMBL4831216 0.90 KDM4E (0.43) RAB9AMEN1KMT2AMMP1MMP2
SCHEMBL4831207 0.90 KDM4E (0.43) RAB9AMEN1KMT2AMMP1MMP2
SCHEMBL4836729 0.89 MMP1 (0.56) RAB9AMAPTMMP1MMP2MMP9
SCHEMBL4833704 0.89 HDAC1 (0.46) RAB9AMEN1KMT2AMAPTMMP1
SCHEMBL4833823 0.89 MMP1 (0.45) RAB9AMEN1KMT2AMAPTMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885MEN1 3516/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 RAB9A 4059/4885MEN1 3516/4885KMT2A 1653/4885

“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.