SCHEMBL4825828

SCHEMBL4825828

CCOC(=O)c1cnn(Cc2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP19A1 P11511 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.52
LMNA P02545 1/20 0.52
RXFP1 Q9HBX9 2/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
F2RL3 Q96RI0 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL3491679 0.92 ALDH1A1 (0.65) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL27632002 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9A
SCHEMBL15750820 0.81 ALDH1A1 (0.84) ALDH1A1SMN1; SMN2NPC1LMNAKDM4E
SCHEMBL21333264 0.81 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2KMT2ANPC1LMNA
SCHEMBL21332805 0.80 SMN1; SMN2 (0.77) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL28757208 0.80 CCNC (0.45) CYP19A1SMN1; SMN2KMT2ANPC1HPGD
SCHEMBL28757209 0.80 CCNC (0.45) CYP19A1SMN1; SMN2KMT2ANPC1HPGD
SCHEMBL27032708 0.80 NPC1 (0.60) ALDH1A1SMN1; SMN2KMT2ANPC1LMNA
SCHEMBL13495282 0.79 SMN1; SMN2 (0.61) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1
SCHEMBL15920987 0.79 SMN1; SMN2 (0.61) ALDH1A1CYP19A1SMN1; SMN2KMT2ANPC1

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 ALDH1A1 2652/4885CYP19A1 790/4885SMN1; SMN2 75/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885CYP19A1 790/4885SMN1; SMN2 75/4885

“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.