SCHEMBL5213628

SCHEMBL5213628

Cc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
MAPT P10636 9/20 0.42
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
TP53 P04637 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR1 P21554 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
POLB P06746 2/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CNR2 P34972 1/20 0.39
RECQL P46063 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
SCHEMBL7461461 0.84 RXRA (0.43)
SCHEMBL7453296 0.80 RXFP1 (0.42) HDAC1MAPTLMNASMN1; SMN2TP53
SCHEMBL6606347 0.80 RXRA (0.47) MAPTSMN1; SMN2TP53HTTALDH1A1
SCHEMBL963990 0.80 SIRT2 (0.40) SMN1; SMN2ALDH1A1CNR1
SCHEMBL7452859 0.79 PSEN1 (0.34) SMN1; SMN2ALDH1A1MAPK1CNR1
SCHEMBL7462674 0.79 NR4A2 (0.37) MAPTSMN1; SMN2TP53
SCHEMBL965656 0.79 SIRT2 (0.37) SMN1; SMN2ALDH1A1CNR1
SCHEMBL7462143 0.78 FAAH (0.39) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL964061 0.78 SIRT2 (0.36) HDAC1CNR1
SCHEMBL1360344 0.78 SIRT2 (0.36) HDAC1CNR1

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 HDAC1 560/4885MAPT 3958/4885LMNA 4253/4885

“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.