SCHEMBL6186835

SCHEMBL6186835

COc1cc(OC)cc(N2CCN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 5/20 0.60
ATM Q13315 1/20 0.60
TP53 P04637 1/20 0.58
ALDH1A1 P00352 3/20 0.56
USP2 O75604 2/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 4/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
TYR P14679 1/20 0.50
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 3/20 0.48
GFER P55789 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL6186238 0.81 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL6184990 0.79 TSHR (0.49) SMN1; SMN2KMT2AALDH1A1USP2TSHR
SCHEMBL5683016 0.78 POLB (0.54) SMN1; SMN2KMT2ATP53ALDH1A1USP2
SCHEMBL14420673 0.76 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL6186684 0.75 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL14095110 0.74 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AATMTP53ALDH1A1
SCHEMBL6497029 0.74 ALDH1A1 (0.51) SMN1; SMN2KMT2ATP53ALDH1A1USP2
SCHEMBL6504267 0.73 ALDH1A1 (0.48) SMN1; SMN2KMT2ATP53ALDH1A1USP2
Hydrochloric Acid SCHEMBL6502821 0.72 ALDH1A1 (0.48) SMN1; SMN2KMT2ATP53ALDH1A1USP2
SCHEMBL5791691 0.72 HCRTR2 (0.57) SMN1; SMN2KMT2AALDH1A1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005538968-A 2005-12-22 JP 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 claimed
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
WO-2004002965-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES ZENTARIS GMBH (DE) 2004-01-08 WO 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.