SCHEMBL23273176

SCHEMBL23273176

O=C1CCCCc2cc(I)ccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 12/20 0.59
▸ MAOB P27338 12/20 0.59
▸ PRKCI P41743 1/20 0.56
▸ HSD17B1 P14061 3/20 0.50
▸ CYP2A6 P11509 1/20 0.48
▸ GRM5 P41594 1/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP2 O95551 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL315147 0.96 MAOA (0.61) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL16082766 0.88 CASP1 (0.59) MAOAMAOBPRKCIHSD17B1GRM5
SCHEMBL12500758 0.84 MAOA (0.48) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL3665755 0.80 MAOA (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL26638890 0.77 TDP2 (0.58) MAOAMAOBPRKCICASP1CASP7
SCHEMBL13193777 0.76 PNMT (0.52) MAOAMAOBHSD17B10TDP2MEN1
SCHEMBL3204625 0.76 CASP1 (0.78) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL5108894 0.76 MAOA (0.61) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL3825921 0.76 MAOA (0.92) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL29521431 0.76 MAOA (0.59) MAOAMAOBPRKCIHSD17B1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746064-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACUTE BRAIN INJURY UNIV COPENHAGEN (DK) 2025-04-16 — — EP disclosed
US-20240391865-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY OTAGO INNOVATION LIMITED (NZ) 2024-11-28 — — US disclosed
US-12077495-B2 Compounds for the treatment of acute brain injury Københavns Universitet (DK) 2024-09-03 — — US disclosed
US-20210122700-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY UNIVERSITY OF OTAGO (NZ) 2021-04-29 — — 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 (3 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-12077495-B2 Compounds for the treatment of acute brain injury F2R, F2RL3, ARG2 MAOA 925/4885MAOB 620/4885PRKCI 3411/4885
US-20210122700-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY F2R, F2RL3, ARG2 MAOA 922/4885MAOB 654/4885PRKCI 3384/4885
US-20240391865-A1 COMPOUNDS FOR THE TREATMENT OF ACUTE BRAIN INJURY F2R, F2RL3, ARG2 MAOA 922/4885MAOB 654/4885PRKCI 3384/4885

“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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