SCHEMBL30008144

SCHEMBL30008144

CCCCC(=O)Nc1ccc(Br)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 3/20 0.71
TSHR P16473 2/20 0.68
NPC1 O15118 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.63
GLA P06280 1/20 0.63
MAPK1 P28482 1/20 0.63
DEGS1 O15121 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.55

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
SCHEMBL31241071 0.95 RAB9A (0.97) RAB9ASMN1; SMN2TSHRNPC1L3MBTL1
SCHEMBL4775518 0.91 RAB9A (0.83) RAB9ASMN1; SMN2TSHRNPC1L3MBTL1
SCHEMBL16622992 0.86 RAB9A (0.76) RAB9ASMN1; SMN2TSHRNPC1L3MBTL1
SCHEMBL7030047 0.84 RAB9A (0.72) RAB9ASMN1; SMN2TSHRNPC1MAPK1
SCHEMBL1849856 0.83 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2NPC1L3MBTL1GLA
SCHEMBL30008478 0.82 L3MBTL1 (0.91) RAB9ASMN1; SMN2TSHRNPC1L3MBTL1
SCHEMBL30008310 0.82 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2NPC1L3MBTL1GLA
SCHEMBL3396223 0.81 TSHR (1.00) RAB9ASMN1; SMN2TSHRNPC1MEN1
SCHEMBL29733653 0.81 TSHR (1.00) RAB9ASMN1; SMN2TSHRNPC1MEN1
SCHEMBL12515305 0.81 MEN1 (0.68) RAB9ASMN1; SMN2TSHRNPC1DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812505-A PI5P4K gamma inhibitor compound, pharmaceutical composition, and preparation method and application thereof 贵州医科大学 2024-10-22 CN disclosed
US-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 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 (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-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 RAB9A 2566/4885SMN1; SMN2 1852/4885TSHR 822/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 RAB9A 2566/4885SMN1; SMN2 1852/4885TSHR 822/4885

“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.