SCHEMBL4831278

SCHEMBL4831278

O=Cc1cnn(Cc2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CDC7 O00311 2/20 0.41
DAPK3 O43293 2/20 0.41
ROCK2 O75116 2/20 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
SCHEMBL5380556 0.90 SMN1; SMN2 (0.48) PTGS1PTGS2SMN1; SMN2RAB9ANPC1
SCHEMBL4833608 0.84 GAA (0.49) KMT2APTGS1PTGS2SMN1; SMN2RAB9A
SCHEMBL4833619 0.84 GAA (0.49) KMT2APTGS1PTGS2SMN1; SMN2RAB9A
SCHEMBL4833310 0.80 KMT2A (0.41) KMT2APTGS1PTGS2SMN1; SMN2RAB9A
SCHEMBL27632002 0.78 ALDH1A1 (0.48) PTGS1PTGS2RAB9AALDH1A1HTT
SCHEMBL8886674 0.78 NPBWR1 (0.55) KMT2ASMN1; SMN2ALDH1A1HTTCYP11B1
SCHEMBL6429798 0.74 MMP1 (0.46) KMT2ASMN1; SMN2RAB9ANPC1POLB
SCHEMBL6596242 0.73 GAA (0.57) KMT2APTGS1SMN1; SMN2RAB9ANPC1
SCHEMBL6596244 0.73 GAA (0.57) KMT2APTGS1SMN1; SMN2RAB9ANPC1
SCHEMBL4825762 0.73 KMT2A (0.77) KMT2APTGS2SMN1; SMN2RAB9ANPC1

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
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
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 KMT2A 1653/4885PTGS1 1761/4885PTGS2 414/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 KMT2A 1653/4885PTGS1 1761/4885PTGS2 414/4885

“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.