SCHEMBL4833608

SCHEMBL4833608

O=C(O)/C=C/c1cnn(Cc2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS1 P23219 2/20 0.41
ATM Q13315 1/20 0.40
PTGS2 P35354 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL4833619 1.00 GAA (0.49) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL6596244 0.91 GAA (0.57) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL6596242 0.91 GAA (0.57) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL28757209 0.86 CCNC (0.45) MEN1KMT2ASMN1; SMN2PTGS1PTGS2
SCHEMBL28757208 0.86 CCNC (0.45) MEN1KMT2ASMN1; SMN2PTGS1PTGS2
SCHEMBL4825707 0.84 SMN1; SMN2 (0.46) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL4825715 0.84 SMN1; SMN2 (0.46) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL4831278 0.84 KMT2A (0.43) GAAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL6429798 0.83 MMP1 (0.46) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL4831264 0.80 EGFR (0.43) SMN1; SMN2KDM4EPTGER4RAB9AHDAC1

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 9 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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
US-20050032860-A1 CBI analogs of CC-1065 and the duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-10 US disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
US-20040002528-A1 CBI analogs of CC-1065 and the duocarmycins THE SCRIPPS RESEARCH INSTITUTE (US) 2004-01-01 US disclosed
US-6548530-B1 Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity THE SCRIPPS RESEARCH INSTITUTE 2003-04-15 US 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 (4 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 GAA 4645/4885PKM 4622/4885MEN1 3516/4885
US-20040002528-A1 CBI analogs of CC-1065 and the duocarmycins DBI, DCK, CCNI GAA 2484/4885PKM 3231/4885MEN1 2594/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GAA 4645/4885PKM 4622/4885MEN1 3516/4885
US-20050032860-A1 CBI analogs of CC-1065 and the duocarmycins DBI, CCNI, DCK GAA 2287/4885PKM 3043/4885MEN1 3117/4885

“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.