SCHEMBL29587274

SCHEMBL29587274

O=C(NCc1ccccc1Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
MGLL Q99685 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
PTPN7 P35236 1/20 0.52
PTPN12 Q05209 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.52
FAAH O00519 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
MAPT P10636 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL31715604 0.85 MEN1 (0.64) KMT2AMEN1MGLLNPC1RAB9A
SCHEMBL211767 0.83 MEN1 (0.50) KMT2AMEN1MGLLNPC1RAB9A
SCHEMBL6800535 0.82 FAAH (0.55) KMT2AMEN1MGLLSMN1; SMN2CYP2C19
SCHEMBL14907666 0.81 MGLL (0.54) KMT2AMEN1MGLLSMN1; SMN2CYP2C19
SCHEMBL599832 0.81 CYP2C9 (0.67) KMT2AMEN1MGLLNPC1RAB9A
SCHEMBL213593 0.80 MGLL (0.52) KMT2AMEN1MGLLNPC1RAB9A
SCHEMBL229908 0.79 MGLL (0.56) KMT2AMEN1MGLLNPC1RAB9A
SCHEMBL3757985 0.79 CYP2C9 (0.60) KMT2AMEN1MGLLNPC1RAB9A
SCHEMBL6646865 0.78 HTR2A (0.54) KMT2AMEN1RAB9ASMN1; SMN2PTPN7
SCHEMBL1196240 0.78 MGLL (0.53) KMT2AMEN1MGLLCYP2C19PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2025-09-30 US disclosed
EP-3990442-B1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-02-28 EP disclosed
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2022-12-08 US disclosed
EP-3990442-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2022-05-04 EP 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-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof ROCK1, ROCK2, RHOA KMT2A 2778/4885MEN1 3651/4885MGLL 3361/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA KMT2A 2778/4885MEN1 3651/4885MGLL 3361/4885

“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.