Sugi Predict

Sugi Predict / Compounds / SCHEMBL11043876

SCHEMBL11043876

SCHEMBL11043876

O=C/C=C/c1ccccc1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.57
▸ CCND1 P24385 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CCNB2 O95067 3/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CCNB1 P14635 3/20 0.46
▸ CCNB3 Q8WWL7 3/20 0.46
▸ APP P05067 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.33

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
SCHEMBL13280904 1.00 CDK4 (0.57) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL16476616 0.83 CDK4 (0.70) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL11070320 0.83 CDK4 (0.70) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL11814521 0.83 CDK4 (0.48) CDK4CCND1ALDH1A1LMNATRPA1
SCHEMBL10454309 0.80 APP (0.57) LMNATRPA1APPMEN1KMT2A
SCHEMBL29661768 0.78 — —
SCHEMBL97071 0.78 — —
SCHEMBL16838234 0.77 APP (0.43) CDK4CCND1APPNFE2L2
SCHEMBL289313 0.76 LMNA (0.65) CDK4CCND1ALDH1A1LMNATRPA1
Ammonia Solution, Strong SCHEMBL11527287 0.74 LMNA (0.62) CDK4CCND1ALDH1A1LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 — — US disclosed
US-10233190-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2019-03-19 — — US disclosed
EP-3348558-A1 COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2018-07-18 — — EP disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 — — US disclosed
US-9850248-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2017-12-26 — — US disclosed
US-20160362412-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2016-12-15 — — US disclosed
EP-3079686-A1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 — — EP disclosed
EP-3079685-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 — — EP disclosed
US-9388191-B2 Fused imidazole derivatives useful as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2016-07-12 — — US disclosed
EP-3018132-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2016-05-11 — — EP disclosed
US-20160002249-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors NEWLINK GENETICS CORPORATION 2016-01-07 — — US disclosed
WO-2015088273-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-08-06 — — WO disclosed
WO-2015088271-A1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 — — WO disclosed
WO-2015088273-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 — — WO disclosed
US-20140066625-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-03-06 — — US disclosed
EP-2697227-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2014-02-19 — — EP disclosed
WO-2012142237-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICKS CORPORATION (US) 2012-10-18 — — WO disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 — — US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 — — US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 — — US 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 (6 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-20160362412-A1 IDO Inhibitors IDO1, IDO2, INMT CDK4 1467/4885CCND1 2166/4885ALDH1A1 1338/4885
US-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT CDK4 1467/4885CCND1 2166/4885ALDH1A1 1338/4885
US-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT CDK4 1491/4885CCND1 2159/4885ALDH1A1 1297/4885
US-10233190-B2 IDO inhibitors IDO1, IDO2, INMT CDK4 1467/4885CCND1 2166/4885ALDH1A1 1338/4885
US-20140066625-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors IDO1, IDO2, INMT CDK4 1708/4885CCND1 3004/4885ALDH1A1 1237/4885
US-20160002249-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors IDO1, IDO2, INMT CDK4 1510/4885CCND1 3000/4885ALDH1A1 1154/4885

“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.