SCHEMBL997922

SCHEMBL997922

NNc1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GRM4 Q14833 1/20 0.39
EGFR P00533 3/20 0.38
XPO1 O14980 1/20 0.38
GPR35 Q9HC97 1/20 0.37
S1PR2 O95136 2/20 0.37
IDO1 P14902 3/20 0.36
MAPT P10636 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
ARNT P27540 1/20 0.35
EPAS1 Q99814 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL998165 0.86 IDO1 (0.46) XPO1GPR35IDO1MAPTRAPGEF4
Hydrochloric Acid SCHEMBL999258 0.84 IDO1 (0.48) XPO1GPR35IDO1MAPTRAPGEF4
SCHEMBL28385305 0.80 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6GRM4
SCHEMBL19143542 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6GRM4
SCHEMBL7944387 0.78 KIF11 (0.45) HDAC3HDAC1HDAC2HDAC6GRM4
SCHEMBL2075947 0.78 CA12 (0.45) HDAC3HDAC1HDAC2HDAC6EGFR
SCHEMBL25112073 0.77 MAPT (0.43) XPO1GPR35IDO1MAPTRAPGEF4
SCHEMBL11677821 0.77 RAPGEF4 (0.52) XPO1GPR35IDO1MAPTRAPGEF4
SCHEMBL4374429 0.77 RAPGEF4 (0.53) HDAC3HDAC1HDAC2HDAC6XPO1
Hydrochloric Acid SCHEMBL718965 0.76 CA12 (0.43) IDO1MAPTRAPGEF4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023036217-A1 ACRYLAMIDE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-03-16 WO disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 WO disclosed
EP-1874871-B1 WATER SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LTD (GB) 2012-10-03 EP disclosed
EP-2270106-A2 Indolium compounds containing fluoro-substituents GE Healthcare UK Limited (GB) 2011-01-05 EP disclosed
US-20100249385-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LIMITED (GB) 2010-09-30 US disclosed
US-7767829-B2 Water-soluble fluoro-substituted cyanine dyes as reactive fluorescence labelling reagents GE HEALTHCARE UK LIMITED (GB) 2010-08-03 US disclosed
US-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES COOPER MICHAEL EDWARD 2009-10-08 US disclosed
CN-101522815-A Unsymmetrical fluoro-substituted polymethine dyes GE HEALTHCARE UK LTD (NO) 2009-09-02 CN disclosed
EP-2046895-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE Healthcare AS (NO) 2009-04-15 EP disclosed
WO-2008015415-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE HEALTHCARE AS (NO) 2008-02-07 WO disclosed
EP-1874871-A1 WATER SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE Healthcare UK Limited (GB) 2008-01-09 EP disclosed
US-20060239922-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LIMITED (GB) 2006-10-26 US disclosed
WO-2006111726-A1 WATER SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LIMITED (GB) 2006-10-26 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 (5 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-20060239922-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS TPD52L2, MRPL21, MRPL9 HDAC3 4317/4885HDAC1 4748/4885HDAC2 4791/4885
US-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES FCGR2A, FCGR3B, FCER2 HDAC3 3109/4885HDAC1 4400/4885HDAC2 4602/4885
US-20100249385-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS TPD52L2, MRPL9, MRPL21 HDAC3 4329/4885HDAC1 4753/4885HDAC2 4790/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 HDAC3 621/4885HDAC1 569/4885HDAC2 1020/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 HDAC3 804/4885HDAC1 903/4885HDAC2 1577/4885

“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.