SCHEMBL22480908

SCHEMBL22480908

O=C(NO)c1cccc(COc2ccc3ccccc3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.73
▸ SMPD1 P17405 6/20 0.71
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ MAPT P10636 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ XBP1 P17861 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ ALOX5 P09917 1/20 0.56
▸ F2 P00734 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ POLB P06746 1/20 0.54

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
SCHEMBL10839211 0.86 SMPD1 (0.74) MRGPRX4SMPD1NPC1MAPTALOX5
SCHEMBL26162712 0.86 SMPD1 (0.83) MRGPRX4SMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL9301215 0.85 MRGPRX4 (1.00) MRGPRX4RAB9ASMN1; SMN2TP53ALOX5
SCHEMBL1608032 0.83 SMPD1 (1.00) SMPD1HDAC1HDAC8HDAC6
SCHEMBL9707413 0.79 MRGPRX4 (0.70) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27903712 0.78 SMPD1 (0.59) MRGPRX4SMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL28587056 0.76 SMPD1 (1.00) MRGPRX4SMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL22480614 0.75 F2 (0.62) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22480904 0.75 MRGPRX4 (0.60) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22480909 0.75 MRGPRX4 (0.60) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT

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 1/4885SMPD1 1154/4885NPC1 809/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMPD1 1154/4885NPC1 809/4885
US-20210032213-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMPD1 1179/4885NPC1 813/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMPD1 1154/4885NPC1 809/4885
US-20230053860-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 MRGPRX4 1/4885SMPD1 1154/4885NPC1 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.

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