SCHEMBL417566

SCHEMBL417566

Cc1ccc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.54
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
CASP1 P29466 1/20 0.48
GRM5 P41594 1/20 0.45
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAP4K4 O95819 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL6866139 0.86 CYP3A4 (0.62) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL31661348 0.86 CYP3A4 (0.62) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL11694777 0.83 ALDH1A1 (0.74) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29788542 0.83 ALDH1A1 (0.74) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL13115650 0.82 TDP1 (0.65) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL3790988 0.82 CASP1 (0.65) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL22065284 0.82 TAAR1 (0.60) CYP1A1ALDH1A1TDP1CYP3A4TSHR
SCHEMBL29502013 0.81
SCHEMBL291685 0.81
SCHEMBL171357 0.80 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
US-8415479-B2 Inhibitor of plasminogen activator inhibitor-1 RENASCIENCE CO., LTD. (JP) 2013-04-09 US disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 US disclosed
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 RENASCIENCE CO., LTD. (JP) 2011-05-12 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP 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 (4 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-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 SERPINE1, SERPINB1, SERPINC1 CYP1A1 759/4885ALDH1A1 888/4885TDP1 1762/4885
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 CYP1A1 3674/4885ALDH1A1 1313/4885TDP1 1674/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 CYP1A1 1356/4885ALDH1A1 1450/4885TDP1 1369/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 CYP1A1 1356/4885ALDH1A1 1450/4885TDP1 1369/4885

“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.