SCHEMBL23374499

SCHEMBL23374499

C/C=C/C(=O)NCCC1=CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.74
▸ RAB9A P51151 8/20 0.66
▸ SMN1; SMN2 Q16637 7/20 0.66
▸ NPC1 O15118 7/20 0.66
▸ HPGD P15428 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ CYP1A2 P05177 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.62
▸ MAPT P10636 2/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ KDM4E B2RXH2 2/20 0.60
▸ PKM P14618 1/20 0.52
▸ EPHX1 P07099 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL12717314 0.80 SMN1; SMN2 (0.64) TAAR1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL7783342 0.79 EPHX1 (0.73) TAAR1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8674157 0.76 TAAR1 (0.61) TAAR1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL14521487 0.76 SMN1; SMN2 (0.68) TAAR1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL28226345 0.73 HPGD (0.72) TAAR1RAB9ANPC1HPGDPOLB
SCHEMBL26205507 0.72 ALDH1A1 (0.63) TAAR1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL15695713 0.71 ALDH1A1 (0.67) RAB9ASMN1; SMN2NPC1HPGDLMNA
SCHEMBL6318345 0.71 ALDH1A1 (0.59) TAAR1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL28375511 0.70 ALDH1A1 (0.78) RAB9ASMN1; SMN2NPC1HPGDLMNA
SCHEMBL7070830 0.70 PKM (0.63) TAAR1RAB9ASMN1; SMN2NPC1HPGD

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-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-11-21 — — US disclosed
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-11-21 — — US disclosed
US-20210147395-A1 NEK6 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF SOLID TUMORS CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2021-05-20 — — 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-20210147395-A1 NEK6 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF SOLID TUMORS NEK4, NEK2, NEK1 TAAR1 4544/4885RAB9A 1632/4885SMN1; SMN2 2279/4885
US-11820758-B2 NEK6 kinase inhibitors useful for the treatment of solid tumors NEK4, NEK2, NEK1 TAAR1 4544/4885RAB9A 1632/4885SMN1; SMN2 2279/4885

“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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