SCHEMBL251532

SCHEMBL251532

C1=CON(c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 4/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL10706482 0.78 LMNA (0.33) LMNASIGMAR1MEN1NPC1RAB9A
SCHEMBL27900531 0.77 FAAH (0.41) LMNAMEN1KMT2A
SCHEMBL27900529 0.77 HTR3E (0.42) LMNASIGMAR1MEN1KMT2AHTR3E
SCHEMBL27883040 0.73 ALDH1A1 (0.47) SIGMAR1MEN1KMT2AHTR3EHTR3B
SCHEMBL27827544 0.72 HTR7 (0.42)
SCHEMBL27900527 0.70 RXRA (0.39) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL27883050 0.70 ADRB1 (0.41) LMNAMEN1NPC1KMT2AADRB1
SCHEMBL1406399 0.67
SCHEMBL27883037 0.66 KAT2B (0.40) LMNAMEN1KMT2A
SCHEMBL8376402 0.64 SIGMAR1 (0.43) LMNASIGMAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-10202343-B2 MIF modulators YALE UNIVERSITY (US) 2019-02-12 US disclosed
US-20180162813-A1 MIF MODULATORS YALE UNIVERSITY 2018-06-14 US disclosed
US-9643922-B2 MIF modulators YALE UNIVERSITY (US) 2017-05-09 US disclosed
US-9540322-B2 MIF modulators YALE UNIVERSITY (US) 2017-01-10 US disclosed
US-20120040974-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-02-16 US disclosed
US-20120004261-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-01-05 US disclosed
WO-2011140202-A2 MIF MODULATORS YALE UNIVERSITY (US) 2011-11-10 WO disclosed
CN-102186833-A MIF modulators UNIV YALE 2011-09-14 CN disclosed
EP-2326631-A2 MIF MODULATORS Yale University (US) 2011-06-01 EP disclosed
CN-101932572-A Pharmaceutically acceptable salts of 2- {4- [ (3S) -piperidin-3-yl ] phenyl } -2H-indazole-7-carboxamide MERCK & CO INC 2010-12-29 CN disclosed
US-20100267714-A1 MIF MODULATORS YALE UNIVERSITY 2010-10-21 US disclosed
WO-2010021693-A2 MIF MODULATORS YALE UNIVERSITY (US) 2010-02-25 WO disclosed
CN-101600706-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-12-09 CN disclosed
EP-1781285-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006023440-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-03-02 WO disclosed
CN-86103464-A The preparation method of Furobenzisoxazole derivatives 1987-02-04 CN 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 (8 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-20180162813-A1 MIF MODULATORS MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-20120040974-A1 MIF MODULATORS MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-20120004261-A1 MIF MODULATORS MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-20100267714-A1 MIF MODULATORS MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-10202343-B2 MIF modulators MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 LMNA 4405/4885SIGMAR1 595/4885MEN1 3464/4885

“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.