SCHEMBL26805331

SCHEMBL26805331

Nc1cc(Cl)ccc1-n1ccnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.53
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRNB2 P17787 1/20 0.45
CYP2B6 P20813 1/20 0.45
MAOA P21397 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRNA4 P43681 1/20 0.45
HTR3A P46098 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
IDO1 P14902 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL30476082 1.00 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL30413222 0.82 NOTUM (0.65) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL18373444 0.79 NOTUM (0.56) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL17373621 0.79 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL15594057 0.79 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL30462844 0.79 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL17295779 0.79 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL30413718 0.79 NOTUM (0.65) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL23466554 0.76 NOTUM (0.53) NOTUMALDH1A1KDM4ELMNAHTT
SCHEMBL19814171 0.76 NOTUM (0.61) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 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 (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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 NOTUM 27/4885CYP1A2 480/4885CYP2C9 799/4885

“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.