SCHEMBL23914958

SCHEMBL23914958

O=C(O)Cc1nn(CC2CC2(F)F)c(=O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
AKR1B1 P15121 17/20 0.54
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL23914900 0.86 RECQL (0.52) MAPTAKR1B1CYP1A2CYP2C9POLB
SCHEMBL23915524 0.82 MAPT (0.67) MAPTAKR1B1KMT2APOLB
SCHEMBL23913685 0.80 MAPT (0.64) MAPTAKR1B1KMT2APOLB
SCHEMBL9327258 0.79 MAPT (0.78) MAPTAKR1B1KMT2APOLB
SCHEMBL6890822 0.76 MAPT (1.00) MAPTAKR1B1KMT2APOLB
SCHEMBL23914635 0.75 MAPT (0.57) MAPTAKR1B1KMT2A
SCHEMBL23915518 0.75 MAPT (0.64) MAPTAKR1B1KMT2APOLB
SCHEMBL8957310 0.75 KMT2A (0.77) MAPTAKR1B1KMT2A
SCHEMBL23914751 0.74 MAPT (0.56) MAPTAKR1B1KMT2A
SCHEMBL10007138 0.74 MAPT (0.79) MAPTAKR1B1KMT2APOLB

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885AKR1B1 124/4885KMT2A 2974/4885

“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.