SCHEMBL13042657

SCHEMBL13042657

Fc1ccc(Nc2ccccc2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
HTT P42858 2/20 0.59
SOS1 Q07889 1/20 0.57
MAPK14 Q16539 3/20 0.53
GAA P10253 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 4/20 0.45
EGFR P00533 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL24287394 0.89 SOS1 (0.55) RAB9ASMN1; SMN2NPC1HTTSOS1
SCHEMBL21468597 0.88 SOS1 (0.53) RAB9ASMN1; SMN2NPC1HTTSOS1
SCHEMBL5536106 0.80 SOS1 (0.54) RAB9ASMN1; SMN2NPC1HTTSOS1
SCHEMBL1336716 0.80 MAPT (0.62) RAB9ASMN1; SMN2NPC1HTTMAPK14
SCHEMBL28934051 0.80 GAA (0.65) SMN1; SMN2HTTSOS1MAPK14GAA
SCHEMBL18434217 0.80 L3MBTL1 (0.54) RAB9ASMN1; SMN2NPC1HTTGAA
SCHEMBL15791720 0.80 GAA (0.65) RAB9ASMN1; SMN2NPC1HTTMAPK14
SCHEMBL7169368 0.80 CYP3A4 (0.52) RAB9ASMN1; SMN2NPC1HTTMAPK14
SCHEMBL28924001 0.80 SOS1 (0.63) RAB9ASMN1; SMN2NPC1HTTSOS1
SCHEMBL28689644 0.80 LMNA (0.61) RAB9ASMN1; SMN2NPC1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2025-05-29 US disclosed
EP-4486739-A1 MODULATORS OF ACKR3 AND USES THEREOF InterAx Biotech AG (CH) 2025-01-08 EP disclosed
WO-2023166190-A1 MODULATORS OF ACKR3 AND USES THEREOF INTERAX BIOTECH AG (CH) 2023-09-07 WO disclosed
EP-2231680-B1 LIGANDS FOR TRANSITION-METAL-CATALYZED CROSS-COUPLINGS, AND METHODS OF USE THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-03-28 EP disclosed
US-7858784-B2 Ligands for transition-metal-catalyzed cross-couplings, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-03 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-20250170117-A1 MODULATORS OF ACKR3 AND USES THEREOF ACKR3, PROKR2, PROKR1 RAB9A 1031/4885SMN1; SMN2 4495/4885NPC1 2082/4885
US-20090221820-A1 Ligands for Transition-Metal-Catalyzed Cross-Couplings, and Methods of Use Thereof SOD1, TIMCC, TST RAB9A 2626/4885SMN1; SMN2 3652/4885NPC1 3969/4885

“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.