SCHEMBL23915453

SCHEMBL23915453

CCOc1cc(N)c([N+](=O)[O-])cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GLA P06280 1/20 0.41
VCAM1 P19320 1/20 0.41
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MLNR O43193 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL23914981 0.85 MAPT (0.48) MAPTLMNAALDH1A1VCAM1KMT2A
SCHEMBL1511848 0.84 ALDH1A1 (0.46) MAPTLMNAALDH1A1VCAM1MEN1
SCHEMBL11484097 0.83 MAPT (0.61) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8356136 0.83 MAPT (0.61) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL23914639 0.83 ALDH1A1 (0.37) MAPTLMNAALDH1A1VCAM1
SCHEMBL23915452 0.82 MAPT (0.43) MAPTLMNAALDH1A1VCAM1MEN1
SCHEMBL23909023 0.82 MEN1 (0.42) MAPTALDH1A1VCAM1MEN1KMT2A
SCHEMBL23909063 0.82 VCAM1 (0.38) MAPTLMNAALDH1A1GLAVCAM1
SCHEMBL9651161 0.82 MAPT (0.59) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL23915464 0.80 ALDH1A1 (0.44) MAPTLMNAALDH1A1MAPK8MEN1

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 4876/4885LMNA 449/4885ALDH1A1 944/4885

“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.