SCHEMBL250536

SCHEMBL250536

CCC(C)c1cccc(Br)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
GRM2 Q14416 1/20 0.33
RORC P51449 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9683779 0.86 TSHR (0.56) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL6681936 0.80 TSHR (0.50) TSHRHPGDPKMMAOAMAOB
SCHEMBL300990 0.80 TSHR (0.50) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL11421517 0.79 GABRA1 (0.44) TSHRHPGDALDH1A1MAOAMAOB
SCHEMBL29573338 0.79 TSHR (0.59) TSHRALDH1A1ALOX15MAOAMAOB
SCHEMBL3708329 0.79 TSHR (0.59) TSHRALDH1A1ALOX15MAOAMAOB
SCHEMBL13981277 0.78 TSHR (0.48) TSHRHPGDALDH1A1PKMMAOA
SCHEMBL10798080 0.78 TSHR (0.48) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL398716 0.77 TSHR (0.47) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL21451620 0.77 TSHR (0.47) TSHRHPGDHTTGRM2RORC

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-8173849-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
US-8173849-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
CN-101687746-A therapeutic compounds PHARMACOFORE INC 2010-03-31 CN disclosed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 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 (3 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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 TSHR 1530/4885HPGD 365/4885USP2 4673/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 TSHR 1530/4885HPGD 365/4885USP2 4673/4885
US-20120196939-A1 Therapeutic Compounds OPRM1, OPRD1, SCN1B TSHR 1877/4885HPGD 566/4885USP2 4750/4885

“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.