SCHEMBL861446

SCHEMBL861446

N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCCc4ccccc43)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.65
PRSS1 P07477 4/20 0.64
PRSS2 P07478 4/20 0.64
PRSS3 P35030 4/20 0.64
F2 P00734 3/20 0.64
ST14 Q9Y5Y6 3/20 0.64
PLG P00747 2/20 0.64
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
AVPR2 P30518 1/20 0.53
AVPR1A P37288 1/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL860152 0.78 PRSS1 (1.00) PRSS1PRSS2PRSS3F2ST14
SCHEMBL6965406 0.73 AVPR2 (0.92) TSHRALDH1A1LMNAHPGDAVPR2
SCHEMBL3456212 0.73 TSHR (0.77) TSHRALDH1A1LMNAHPGDPDE4A
SCHEMBL7348349 0.73 AVPR2 (0.76) TSHRALDH1A1LMNAHPGDAVPR2
SCHEMBL29463754 0.73 ALDH1A1 (0.81) TSHRALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL6198498 0.73 ALDH1A1 (0.81) TSHRALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL5243307 0.72 AVPR2 (0.80) TSHRALDH1A1LMNAAVPR2AVPR1A
Thiourea SCHEMBL15400235 0.72 ALDH1A1 (0.70) TSHRALDH1A1HPGDPOLBMAPT
SCHEMBL29941834 0.72 PDE4A (1.00) TSHRALDH1A1LMNAHPGDPDE4A
SCHEMBL4493929 0.72 ALDH1A1 (0.71) TSHRALDH1A1LMNAHPGDAVPR2

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 TSHR 3955/4885PRSS1 3/4885PRSS2 23/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 TSHR 3955/4885PRSS1 3/4885PRSS2 23/4885

“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.