SCHEMBL3595864

SCHEMBL3595864

Cc1cc2c(C(=O)Nc3ccc(F)cc3C)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.50
PLA2G7 Q13093 1/20 0.47
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
THRB P10828 2/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3601444 0.85 VCP (0.46) VCPMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3596431 0.80 TP53 (0.64) MAPTSMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL22820217 0.76 LMNA (0.56) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL28491138 0.74 NPC1 (0.55) MAPTALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL22820022 0.73 MEN1 (0.54) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3595867 0.72 MAPT (0.51) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL4498897 0.72 LMNA (0.53) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL6896273 0.72 LMNA (0.45) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3588744 0.72 MAOB (0.55) VCPMAPTALDH1A1MAPK1KDM4E
SCHEMBL3601280 0.71 GRM4 (0.50) VCPMAPTMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 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 (1 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 VCP 3745/4885PLA2G7 2071/4885MAPT 3054/4885

“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.