SCHEMBL6657797

SCHEMBL6657797

CCc1cc(NC(=S)N2CCN(c3ccccc3SC)CC2)c(OC)nc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ATM Q13315 2/20 0.48
MEN1 O00255 1/20 0.46
PHGDH O43175 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL6653829 0.91 KMT2A (0.55) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6954289 0.90 RBP4 (0.46) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL6652670 0.88 PHGDH (0.58) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL8701044 0.87 KMT2A (0.65) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6657909 0.86 ALDH1A1 (0.50) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6649599 0.86 ALDH1A1 (0.49) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6652409 0.85 KMT2A (0.48) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6651274 0.85 MEN1 (0.54) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL6560550 0.82 PHGDH (0.47) KMT2AATMMEN1PHGDHALDH1A1
SCHEMBL6657804 0.81 SMN1; SMN2 (0.46) KMT2AATMMEN1PHGDHALDH1A1

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
EP-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS KMT2A 2664/4885ATM 4732/4885MEN1 3862/4885

“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.