SCHEMBL3366281

SCHEMBL3366281

CS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.66
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CASP1 P29466 2/20 0.63
CASP7 P55210 2/20 0.63
TOP2A P11388 4/20 0.48
TOP2B Q02880 4/20 0.48
GLA P06280 2/20 0.47
SLC22A1 O15245 1/20 0.47
ABCC4 O15439 1/20 0.47
NR1I2 O75469 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
TOP1 P11387 1/20 0.47
DRD2 P14416 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 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
SCHEMBL31237457 0.94 KDM1A (0.78) KDM1ACYP1A2CYP2D6CYP2C9CASP1
SCHEMBL17154453 0.83 KDM1A (0.69) KDM1ATOP2ATOP2BKCNH2LMNA
SCHEMBL30014161 0.81 KDM1A (0.63) KDM1ACYP1A2CYP2D6CYP2C9CASP1
SCHEMBL6115003 0.80 KDM1A (1.00) KDM1ACYP1A2CYP2D6CYP2C9CASP1
SCHEMBL17154423 0.79 KDM1A (0.60) KDM1ACYP1A2CYP2D6CYP2C9CASP1
SCHEMBL17154363 0.78 KDM1A (0.58) KDM1AKDM4ELMNAMAPTRAD52
SCHEMBL31312578 0.77 KDM1A (0.64) KDM1ATERT
SCHEMBL17154394 0.77 KDM1A (0.84) KDM1ATOP2ATOP2BGLAKDM4E
SCHEMBL31238359 0.76 KDM1A (0.74) KDM1ACYP1A2CYP2D6CYP2C9CASP1
SCHEMBL28046255 0.75 CA1 (0.57) KDM1ACYP1A2CYP2C9CYP3A4PRKD3

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 2 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

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 491/4885CYP1A2 588/4885CYP2D6 650/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KDM1A 1320/4885CYP1A2 1154/4885CYP2D6 1538/4885

“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.