SCHEMBL3362999

SCHEMBL3362999

CCN(CC)CCSc1c2ccccc2nc2cc(N)ccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.43
CACNA2D1 P54289 9/20 0.42
ATM Q13315 1/20 0.42
HTR3A P46098 1/20 0.40
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

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
SCHEMBL7869229 0.85 KDM1A (0.53) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL7875795 0.83 KDM1A (0.50) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL3362993 0.75 KDM1A (0.43) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL11703072 0.72 KDM4E (0.51) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL8206430 0.72 KDM1A (0.44) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL8212730 0.72 KDM1A (0.50) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL10979565 0.71 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL7869236 0.71 KDM1A (0.48) KMT2AMAPTSMN1; SMN2KDM1ALMNA
SCHEMBL11703495 0.70 HTR3A (0.52) MEN1KMT2AMAPTSMN1; SMN2KDM1A
SCHEMBL4163642 0.70 KDM4E (0.72) MEN1KMT2AMAPTSMN1; SMN2KDM1A

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 MEN1 3638/4885KMT2A 1108/4885MAPT 1527/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 MEN1 4701/4885KMT2A 2353/4885MAPT 3341/4885

“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.