SCHEMBL31470103

SCHEMBL31470103

Nc1cccc(F)c1Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
TAAR1 Q96RJ0 2/20 0.49
PNMT P11086 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
PPP1CA P62136 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 1/20 0.41
LMNA P02545 2/20 0.40
IDO1 P14902 3/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11780183 0.85 TAAR1 (0.47) HTTTAAR1NPC1L3MBTL1LMNA
SCHEMBL31470005 0.85 TAAR1 (0.52) HTTTAAR1PNMTGAATSHR
SCHEMBL8967583 0.78 TSHR (0.48) HTTTAAR1PNMTTSHRIDO1
SCHEMBL27616376 0.76 HTT (0.54) HTTTAAR1GAATDP1L3MBTL1
SCHEMBL31448574 0.76 HTT (0.41) HTTTAAR1PNMTTDP1NPC1
SCHEMBL11776386 0.75 TSHR (0.54) TAAR1PNMTTSHRIDO1CYP1A2
SCHEMBL11195639 0.75 TAAR1 (0.50) HTTTAAR1PNMTL3MBTL1IDO1
SCHEMBL11015096 0.74 KDM4E (0.46) TAAR1TDP1SMN1; SMN2LMNAIDO1
SCHEMBL10510260 0.74 MPO (0.42) HTTTAAR1NPC1L3MBTL1LMNA
SCHEMBL22166083 0.71 MEN1 (0.46) HTTTAAR1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT INCYTE CORPORATION 2025-05-29 US disclosed
WO-2025076455-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT Escient Pharmaceuticals Inc. (US) 2025-04-10 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 (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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT MRGPRX2, MRGPRX1, MRGPRX4 HTT 1769/4885TAAR1 168/4885PNMT 3178/4885

“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.