SCHEMBL10179102

SCHEMBL10179102

O=Cc1ccc(CN2C(=O)c3ccccc3C2=O)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
PTPN1 P18031 3/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CASP3 P42574 1/20 0.42
GLS O94925 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 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
SCHEMBL10973699 0.79 NPC1 (0.44) ALDH1A1POLBTSHRTP53MDM2
SCHEMBL11364469 0.77 ALDH1A1 (0.55) ALDH1A1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL10743632 0.77 ALDH1A1 (0.55) ALDH1A1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL10179103 0.73 ALDH1A1 (0.51) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL6964510 0.73 ALDH1A1 (0.65) ALDH1A1POLBHTTCASP3MEN1
SCHEMBL19695649 0.73 ALDH1A1 (0.48) ALDH1A1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL6701969 0.73 ALDH1A1 (0.48) ALDH1A1POLBMAPTSMN1; SMN2CYP1A2
SCHEMBL31751926 0.73 ALDH1A1 (0.65) ALDH1A1POLBHTTCASP3MEN1
Phthalic Anhydride SCHEMBL15124192 0.71 ALDH1A1 (0.71) ALDH1A1POLBTSHRTP53MDM2
SCHEMBL1680781 0.71 ALDH1A1 (0.46) ALDH1A1POLBMAPTSMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110330440-A A kind of technique that 5-ALA is prepared with 5- chloromethyl furfural 厦门大学 2019-10-15 CN claimed
CN-110330440-A A kind of technique that 5-ALA is prepared with 5- chloromethyl furfural 厦门大学 2019-10-15 CN disclosed
CN-110330440-A A kind of technique that 5-ALA is prepared with 5- chloromethyl furfural 厦门大学 2019-10-15 CN disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 ALDH1A1 387/4885POLB 4826/4885TSHR 3805/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 ALDH1A1 387/4885POLB 4826/4885TSHR 3805/4885

“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.