SCHEMBL22411334

SCHEMBL22411334

Clc1nc(N2CCCC2)c2ncccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PIK3CA P42336 11/20 0.46
▸ PIK3CD O00329 9/20 0.46
▸ PIK3CG P48736 8/20 0.46
▸ MTOR P42345 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ METAP1 P53582 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11855240 0.98 HRH4 (0.51) HRH4ALDH1A1TSHRMAPK1TDP1
SCHEMBL11848455 0.87 PIK3CA (0.58) HRH4PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL2276716 0.87 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL17627939 0.83 HRH4 (0.43) HRH4PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL17627938 0.83 HRH4 (0.43) HRH4PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL22411579 0.78 HRH4 (0.49) HRH4ALDH1A1TSHRMAPK1TDP1
SCHEMBL11857645 0.77 HTR3E (0.59) HRH4ALDH1A1MAPK1TDP1MAPT
SCHEMBL17628378 0.77 PRKDC (0.44) TSHRGFERPIK3CAMTORKMT2A
SCHEMBL11857620 0.76 PIK3CA (0.46) HRH4PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL17628072 0.76 CNR2 (0.47) PIK3CAPIK3CDPIK3CGMTORKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290350-A Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-07-05 — — CN disclosed
CN-113631535-B Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-04-12 — — CN disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 — — US disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 — — US disclosed
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2022-05-12 — — US disclosed
WO-2022020150-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2022-01-27 — — WO disclosed
EP-3938340-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS Collaborative Medicinal Development, LLC (US) 2022-01-19 — — EP disclosed
CN-113631535-A Heteroaryl and bis-heterocyclic aryl derivatives for the treatment of disorders associated with iron death 协同医药发展有限公司 2021-11-09 — — CN disclosed
WO-2020185738-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2020-09-17 — — WO disclosed
WO-2020185738-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2020-09-17 — — 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 (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-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 HRH4 4483/4885ALDH1A1 1337/4885TSHR 3486/4885
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders AIFM2, FECH, SLC40A1 HRH4 189/4885ALDH1A1 1127/4885TSHR 1182/4885

“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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