SCHEMBL23914959

SCHEMBL23914959

COCCOc1cc(N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ALDH1A1 P00352 4/20 0.51
S1PR4 O95977 3/20 0.47
LMNA P02545 5/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL22072961 0.88 MAPT (0.56) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL26930698 0.87 MAPT (0.61) MAPTALDH1A1S1PR4LMNAPOLB
SCHEMBL26930475 0.86 MAPT (0.56) MAPTALDH1A1S1PR4LMNAPOLB
SCHEMBL16536986 0.84 MAPT (0.52) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL3168592 0.84 S1PR4 (0.51) MAPTALDH1A1S1PR4LMNAPOLB
SCHEMBL5562501 0.84 MAPT (0.59) MAPTALDH1A1S1PR4LMNAMEN1
SCHEMBL7139766 0.83 ALDH1A1 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20030505 0.83 ALDH1A1 (0.49) MAPTALDH1A1S1PR4LMNAKMT2A
SCHEMBL20982521 0.82 MAOA (0.47) MAPTALDH1A1S1PR4LMNAMEN1
SCHEMBL15716580 0.82 S1PR4 (0.51) MAPTALDH1A1S1PR4LMNAPOLB

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 4876/4885ALDH1A1 944/4885S1PR4 5/4885

“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.