SCHEMBL3645849

SCHEMBL3645849

ClCc1ncccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
METAP1 P53582 1/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
P2RX7 Q99572 1/20 0.39
KCNMA1 Q12791 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2080974 0.84 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9METAP1
SCHEMBL24801822 0.84 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9METAP1
SCHEMBL3647188 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP2C9METAP1
Hydrochloric Acid SCHEMBL5474129 0.78 PIK3CA (0.43) ALDH1A1SMN1; SMN2CYP2C9CYP3A4PIK3CA
SCHEMBL9455812 0.78 PIK3CA (0.43) ALDH1A1SMN1; SMN2CYP1A2POLBCYP2C19
SCHEMBL1801712 0.78 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2CYP1A2CYP2C9METAP1
Hydrochloric Acid SCHEMBL9455729 0.77 PIK3CA (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C19PIK3CA
Hydrochloric Acid SCHEMBL9455891 0.77 PIK3CA (0.43) ALDH1A1SMN1; SMN2CYP1A2CYP2C19PIK3CA
SCHEMBL823332 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C9METAP1
SCHEMBL24342393 0.75 CYP1A2 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP2C9METAP1

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-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 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 (1 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-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 ALDH1A1 1711/4885SMN1; SMN2 4749/4885CYP1A2 1878/4885

“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.