SCHEMBL6186684

SCHEMBL6186684

Cc1cccc(N2CCN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
TP53 P04637 1/20 0.58
ALDH1A1 P00352 5/20 0.56
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
HCRTR1 O43613 3/20 0.52
HCRTR2 O43614 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.48
GBA1 P04062 5/20 0.47
TSHR P16473 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL27631328 0.79 HCRTR1 (0.49) KMT2AATMALDH1A1HCRTR1HCRTR2
SCHEMBL14420673 0.76 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL6186835 0.75 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL6186238 0.74 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL14095110 0.74 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL14758421 0.74 ALDH1A1 (0.57) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL20339488 0.73 HTR3E (0.63) KMT2AALDH1A1HCRTR1HCRTR2HTR3E
SCHEMBL4147974 0.73 POLB (0.51) ALDH1A1HCRTR1HCRTR2POLBGBA1
SCHEMBL6186542 0.72 HCRTR1 (0.56) SMN1; SMN2KMT2ATP53ALDH1A1USP2
SCHEMBL13597156 0.71 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AATMTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses ZENTARIS GMBH (DE) 2004-05-20 US claimed
EP-1517898-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES Zentaris GmbH (DE) 2005-03-30 EP disclosed
US-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses ZENTARIS GMBH (DE) 2004-05-20 US disclosed
WO-2004002965-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES ZENTARIS GMBH (DE) 2004-01-08 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-20040097734-A1 Aryl- and heteroarylcarbonylpiperazines and their use for the treatment of benign and malignant oncoses VHL, MYC, HCCS SMN1; SMN2 4262/4885KMT2A 1242/4885ATM 4267/4885

“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.