SCHEMBL9048121

SCHEMBL9048121

O=C(CCCl)c1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.71
CTNNB1 P35222 5/20 0.69
WNT3A P56704 5/20 0.69
GPR84 Q9NQS5 1/20 0.61
LMNA P02545 1/20 0.57
ALDH1A1 P00352 3/20 0.57
PBRM1 Q86U86 1/20 0.57
ATM Q13315 1/20 0.57
KDM1A O60341 1/20 0.56
KMT2A Q03164 3/20 0.55
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
NR4A2 P43354 1/20 0.53
CREBBP Q92793 1/20 0.53

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
SCHEMBL8557156 0.90 ADAM17 (0.68) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL4852469 0.89 ADAM17 (0.66) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL3717752 0.88 ADAM17 (0.68) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL9633079 0.85 ADAM17 (0.73) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL7214385 0.83 ADAM17 (1.00) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL15969761 0.82 CTNNB1 (1.00) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL4056357 0.81 ADAM17 (0.68) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL32685253 0.81 ADAM17 (0.68) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL12838313 0.81 ADAM17 (0.68) ADAM17CTNNB1WNT3AGPR84LMNA
SCHEMBL28751191 0.81 GABRA1 (0.81) ADAM17CTNNB1WNT3AGPR84LMNA

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-9714232-B2 Substituted piperazine compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-07-25 US disclosed
US-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-25 US disclosed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP 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-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof HTR5A, HTR2A, HTR2C ADAM17 3241/4885CTNNB1 4188/4885WNT3A 1539/4885

“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.