SCHEMBL3362301

SCHEMBL3362301

Cc1cc(C)nc(NC(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.64
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA4 P43681 1/20 0.64
LCK P06239 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
GRM5 P41594 3/20 0.57
LMNA P02545 1/20 0.57
SORT1 Q99523 1/20 0.57
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55

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
SCHEMBL821848 0.92 MEN1 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL15045375 0.88 GRM5 (0.76) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14097068 0.86 LCK (0.66) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL27891079 0.86 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8660822 0.86 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4LCK
SCHEMBL14082158 0.84 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL3424508 0.84 ALDH1A1 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL11379752 0.83 LCK (0.76) LCKSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL821779 0.83 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12549321 0.82 LCK (0.60) CHRNB2CHRNB4CHRNA3CHRNA4LCK

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 CHRNB2 2125/4885CHRNB4 1323/4885CHRNA3 703/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CHRNB2 4850/4885CHRNB4 4808/4885CHRNA3 4567/4885

“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.