SCHEMBL21805910

SCHEMBL21805910

O=C1CCCCN1c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALOX5 P09917 1/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL29930250 0.95 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL1634757 0.95 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL17870929 0.88 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL75924 0.81 HPGD (0.58) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL28257396 0.81 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL13097169 0.80 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL12795836 0.80 L3MBTL1 (0.57) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL31597626 0.80 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL12493670 0.80 HPGD (0.56) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10112811 0.79 IDO1 (0.57) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
EP-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 EP disclosed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 US disclosed
EP-3852752-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-07-28 EP disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 WO disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 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 (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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885HPGD 222/4885CYP1A2 2394/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885HPGD 222/4885CYP1A2 2394/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 ALDH1A1 474/4885HPGD 1182/4885CYP1A2 2169/4885

“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.