SCHEMBL29633128

SCHEMBL29633128

N#Cc1ccccc1CCCCCBr

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL7412881 0.92 CYP19A1 (0.41) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28248440 0.88 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL5728797 0.84 CYP19A1 (0.43) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL30252315 0.84 CYP19A1 (0.43) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL28248935 0.84 CYP19A1 (0.46) CYP19A1SMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL6961355 0.81 NAAA (0.46) MAPTTSHRFFAR1FAAH
SCHEMBL6680392 0.81 LIPG (0.53) TSHRLIPG
SCHEMBL3629719 0.81 LIPG (0.53) TSHRLIPG
SCHEMBL6952873 0.81 NAAA (0.46) MAPTTSHRFFAR1FAAH
SCHEMBL6685317 0.81 LIPG (0.53) TSHRLIPG

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
US-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2025-12-25 US disclosed
CN-113766914-B Pentaneamidine analogues and uses thereof 美商奥润沙公司 2024-02-13 CN disclosed
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. 2022-05-12 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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR MALT1, SLC38A7, SLC7A1 CYP19A1 2551/4885SMN1; SMN2 897/4885ALDH1A1 1716/4885
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR DPYD, TYMP, GOT1 CYP19A1 3284/4885SMN1; SMN2 1570/4885ALDH1A1 719/4885

“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.