SCHEMBL6674877

SCHEMBL6674877

COc1ccccc1N1CCN(C(=NO)Nc2cc3ccccc3nc2OC)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PHGDH O43175 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1A P08908 5/20 0.45
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
DRD2 P14416 2/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL6672530 0.87 PHGDH (0.48) RAB9APHGDHALDH1A1CYP1A2CYP3A4
SCHEMBL6650534 0.87 PHGDH (0.59) RAB9ANPC1PHGDHALDH1A1CYP1A2
SCHEMBL6966945 0.87 MAPT (0.57) RAB9ANPC1ALDH1A1HTR1AMAPT
SCHEMBL6674580 0.84 GAA (0.43) PHGDHALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL6672235 0.84 PHGDH (0.39) PHGDHALDH1A1CYP3A4CYP2C19HTR1A
SCHEMBL6673633 0.84 PKM (0.46) RAB9APHGDHALDH1A1CYP1A2CYP3A4
SCHEMBL6673925 0.83 CCKAR (0.38) PHGDHHTR1AMAPTGAAKMT2A
SCHEMBL6675678 0.83 MAPT (0.46) RAB9APHGDHALDH1A1HTR1AMAPT
SCHEMBL6686211 0.81 KMT2A (0.46) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL6674871 0.80 NPC1 (0.50) RAB9ANPC1PHGDHALDH1A1CYP1A2

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 RAB9A 2925/4885NPC1 287/4885PHGDH 2923/4885

“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.