SCHEMBL3366450

SCHEMBL3366450

NC1C2=C(CCCC2)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MT-CO2 P00403 1/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34

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
SCHEMBL3361972 0.86 SIGMAR1 (0.33) SMN1; SMN2LMNAMEN1KMT2AGAA
SCHEMBL1868600 0.82 RXFP1 (0.49) POLBRXFP1ALDH1A1TSHRNPSR1
SCHEMBL7935365 0.77 LTA4H (0.32) L3MBTL1MEN1KMT2A
SCHEMBL7674465 0.76 CDC25A (0.44) ALDH1A1LMNAMEN1KMT2AALDH2
SCHEMBL7945043 0.75 AADAT (0.40)
SCHEMBL9372684 0.75 HCAR2 (0.38) ALDH1A1SMN1; SMN2TSHRUSP2LMNA
SCHEMBL10403793 0.72 HTR2A (0.30)
SCHEMBL8004830 0.72 KMT2A (0.42) POLBP2RX4L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL10404126 0.71
SCHEMBL7941642 0.71

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 POLB 469/4885RXFP1 2808/4885ALDH1A1 2240/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 POLB 249/4885RXFP1 4270/4885ALDH1A1 785/4885

“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.