SCHEMBL4834441

SCHEMBL4834441

Cc1nc2ccccc2n1Cc1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
GALR3 O60755 2/20 0.42
NR2F2 P24468 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
DHFR P00374 2/20 0.42

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
SCHEMBL4834431 1.00 GRM2 (0.46) GRM2HDAC1HDAC6LMNAMAPT
SCHEMBL4829229 0.87 CCNC (0.45) LMNAHDAC2RAB9ASMN1; SMN2KDM4E
SCHEMBL4829220 0.87 CCNC (0.45) LMNAHDAC2RAB9ASMN1; SMN2KDM4E
SCHEMBL4833668 0.85 BRD4 (0.42) HDAC2RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4833654 0.85 BRD4 (0.42) HDAC2RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL966355 0.84 CCNC (0.46) GRM2HDAC1HDAC6LMNAHDAC8
SCHEMBL4829378 0.84 LMNA (0.47) GRM2LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4829388 0.84 LMNA (0.47) GRM2LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL966357 0.84 CCNC (0.46) GRM2HDAC1HDAC6LMNAHDAC8
SCHEMBL4833742 0.82 HDAC2 (0.44) HDAC6LMNAMAPTHDAC2SMN1; SMN2

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 GRM2 54/4885HDAC1 662/4885HDAC6 981/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GRM2 54/4885HDAC1 662/4885HDAC6 981/4885

“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.