SCHEMBL22480902

SCHEMBL22480902

O=C(NO)c1cccc(COc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.74
SMN1; SMN2 Q16637 7/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 4/20 0.61
HPGD P15428 3/20 0.61
HTT P42858 2/20 0.61
MDM2 Q00987 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TP53 P04637 2/20 0.61
HDAC8 Q9BY41 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
THRB P10828 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
XBP1 P17861 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL22480933 0.88 MRGPRX4 (0.76) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22480715 0.85 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22480888 0.85 MRGPRX4 (0.74) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22481062 0.84 MRGPRX4 (0.82) MRGPRX4
SCHEMBL22469921 0.77 MRGPRX4 (0.71) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22469897 0.77 MRGPRX4 (0.67) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24791951 0.76 MRGPRX4 (0.68) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31568468 0.76 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL22480615 0.76 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30054184 0.76 MRGPRX4 (0.68) MRGPRX4SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-02-23 US disclosed
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2021-02-04 US disclosed
WO-2020198537-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2020-10-01 WO 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 (5 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMN1; SMN2 4483/4885NPC1 809/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMN1; SMN2 4483/4885NPC1 809/4885
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMN1; SMN2 4469/4885NPC1 813/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMN1; SMN2 4483/4885NPC1 809/4885
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMN1; SMN2 4483/4885NPC1 809/4885

“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.