SCHEMBL30062604

SCHEMBL30062604

COc1cccc(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56

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
SCHEMBL17078809 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL16139291 0.87 MGLL (0.55) MEN1KMT2AALDH1A1MAPTFFAR1
SCHEMBL21329860 0.86 GAA (0.66) MEN1KMT2AALDH1A1MAPTCRHBP
SCHEMBL3275588 0.85 ACKR3 (0.59) MEN1KMT2AALDH1A1FFAR1HTT
SCHEMBL17078698 0.84 MGLL (0.52) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1196240 0.84 MGLL (0.53) MEN1KMT2AFFAR1MGLLFAAH
SCHEMBL599832 0.83 CYP2C9 (0.67) MEN1KMT2AFFAR1MGLLFAAH
SCHEMBL25371894 0.81 CYP2C9 (0.50) FFAR1MGLLFAAHSMN1; SMN2
SCHEMBL5343522 0.81 MMP13 (0.75) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL30229644 0.81 CCR1 (0.55) MEN1KMT2AMAPTFFAR1MGLL

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 3 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

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 MEN1 3651/4885KMT2A 2778/4885ALDH1A1 4692/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA MEN1 3651/4885KMT2A 2778/4885ALDH1A1 4692/4885

“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.