SCHEMBL3362993

SCHEMBL3362993

CCN(CC)C(C)Sc1c2ccccc2nc2cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TERT O14746 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR3A P46098 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL8212730 0.83 KDM1A (0.50) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL8206430 0.80 KDM1A (0.44) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL3362999 0.75 MEN1 (0.46) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL7869229 0.74 KDM1A (0.53) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL11703072 0.72 KDM4E (0.51) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL7875795 0.72 KDM1A (0.50) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL11703495 0.70 HTR3A (0.52) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL4163642 0.70 KDM4E (0.72) KDM1AMEN1KMT2ATERTABCB11
SCHEMBL11703562 0.68 KDM4E (0.58) MEN1KMT2ATERTABCB11LMNA
SCHEMBL8209747 0.68 KDM1A (0.46) KDM1AKMT2ALMNAKDM4EALDH1A1

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KDM1A 491/4885MEN1 3638/4885KMT2A 1108/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KDM1A 1320/4885MEN1 4701/4885KMT2A 2353/4885

“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.