SCHEMBL1829208

SCHEMBL1829208

CCCCNC(=N)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR84 Q9NQS5 2/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 2/20 0.41
SMYD3 Q9H7B4 1/20 0.40
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL3781359 0.79 RXFP1 (0.40) RXFP1ALDH1A1GPR84KDM4ESMYD3
SCHEMBL4395036 0.76 SMYD3 (0.44) POLBALDH1A1RAB9AMAPTKDM4E
SCHEMBL6766391 0.75 KDM4E (0.59) RXFP1SMN1; SMN2POLBALDH1A1NPC1
SCHEMBL22425114 0.73 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1HTTMAPTKDM4E
SCHEMBL7361096 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11296648 0.72 HDAC3 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL12658568 0.72 PRSS1 (0.43) SMN1; SMN2HTTRAB9AMAPT
SCHEMBL6767250 0.72 RAB9A (0.64) RXFP1POLBALDH1A1HTTNPC1
SCHEMBL12658567 0.70 HCAR3 (0.53) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL6763737 0.70 MAPT (0.50) RXFP1SMN1; SMN2POLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US claimed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US claimed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US claimed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP claimed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP claimed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 WO claimed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
EP-2319838-A1 Therapeutic Molecules and Methods-1 Cortical Pty Ltd (AU) 2011-05-11 EP disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-20100323999-A1 Therapeutic Molecules and Methods-1 MORAND ERIC FRANCIS 2010-12-23 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-7709514-B2 Therapeutic molecules and methods-1 CORTICAL PTY LTD (AU) 2010-05-04 US disclosed
US-20060154977-A1 Therapeutic molecules and methods-1 CORTICAL PTY LTD, CORPORATION 2006-07-13 US disclosed
EP-1511736-A4 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2006-06-07 EP disclosed
EP-1511736-A1 THERAPEUTIC MOLECULES AND METHODS-1 Cortical Pty Ltd (AU) 2005-03-09 EP disclosed
WO-2003104203-A1 THERAPEUTIC MOLECULES AND METHODS-1 CORTICAL PTY LTD (AU) 2003-12-18 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-20060154977-A1 Therapeutic molecules and methods-1 MIF, IL1B, IL1A RXFP1 589/4885SMN1; SMN2 3844/4885POLB 3151/4885
US-20100323999-A1 Therapeutic Molecules and Methods-1 MIF, IL1B, IL1A RXFP1 589/4885SMN1; SMN2 3844/4885POLB 3151/4885

“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.