SCHEMBL1307995

SCHEMBL1307995

C1=Nc2ccc(CN3CCOCC3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
NCF1 P14598 1/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KCNJ1 P48048 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CXCR4 P61073 1/20 0.41

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
SCHEMBL28119283 0.86 SMN1; SMN2 (0.49) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL14375253 0.80 HRH3 (0.53) TSHRHRH3ALDH1A1LMNAPARP1
SCHEMBL19869623 0.79 KDM4E (0.35) TSHRTP53MAPK1HRH3HTT
SCHEMBL15467001 0.73 HRH3 (0.87) SMN1; SMN2HRH3NCF1ALDH1A1HPGD
SCHEMBL12941088 0.72 SMN1; SMN2 (0.60) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL31062459 0.71 SMN1; SMN2 (0.58) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL3698036 0.71 SMN1; SMN2 (0.58) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL24595463 0.71 TRPA1 (0.36) SMN1; SMN2TSHRNPC1MAPK1RAB9A
SCHEMBL29149200 0.70 SMN1; SMN2 (0.51) SMN1; SMN2TSHRNPC1TP53MAPK1
SCHEMBL11196105 0.70 NCF1 (0.83) SMN1; SMN2TSHRNPC1TP53MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 US disclosed
US-20080207729-A1 Chemoosensitizer for dug resistance tumors SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-28 US disclosed
CN-101193861-A Indole derivatives having antitumor activity SIGMA TAU IND FARMACEUTI (IT) 2008-06-04 CN disclosed
EP-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP disclosed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 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 (1 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-20080207729-A1 Chemoosensitizer for dug resistance tumors UTS2R, ABCC1, SLC11A2 SMN1; SMN2 4620/4885TSHR 2581/4885NPC1 3679/4885

“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.