SCHEMBL29316888

SCHEMBL29316888

CN(c1ccc(C(=O)N[C@H]2CC[C@@H](N(C)c3cc(C(F)(F)F)nc(C(F)(F)F)c3)CC2)cc1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ AR P10275 1/20 0.41
▸ MCHR1 Q99705 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 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
SCHEMBL29316367 0.89 KDM4E (0.46) SMN1; SMN2NPC1RAB9AHDAC4AR
SCHEMBL24632302 0.88 CYP3A4 (0.47) CYP3A4SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL29665867 0.88 CYP3A4 (0.47) CYP3A4SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL29316797 0.85 MCHR1 (0.51) KMT2ANPC1RAB9AHDAC4MEN1
SCHEMBL29316658 0.85 HDAC4 (0.44) SMN1; SMN2NPC1RAB9AHDAC4AR
SCHEMBL29316597 0.83 MCHR1 (0.49) SMN1; SMN2NPC1RAB9AHDAC4AR
SCHEMBL29316779 0.83 NPC1 (0.51) NPC1RAB9AHDAC4ARMCHR1
SCHEMBL29315571 0.83 MCHR1 (0.48) CYP3A4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29317030 0.81 SMYD3 (0.54) KMT2ANPC1RAB9AHDAC4MEN1
SCHEMBL29316862 0.80 PTK2 (0.41) SMN1; SMN2KMT2AHDAC4ARMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2024-07-18 — — 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-20240239749-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 CYP3A4 3824/4885SMN1; SMN2 4646/4885KMT2A 3574/4885

“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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