SCHEMBL12094240

SCHEMBL12094240

O=C1C=CC(=O)N1CCNC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ CA3 P07451 2/20 0.43
▸ CA5A P35218 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ MGLL Q99685 3/20 0.42
▸ FAAH O00519 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.41

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
SCHEMBL12305127 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL17614667 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13171247 0.87 MEN1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16089528 0.84 MGLL (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL17694233 0.82 TP53 (0.44) ALDH1A1SMN1; SMN2POLBDRD2MGLL
Trifluoroacetic Acid SCHEMBL22973513 0.78 DRD2 (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16096215 0.77 PTGS1 (0.48) ALDH1A1SMN1; SMN2DRD2DRD3MGLL
SCHEMBL20246935 0.76 MGLL (0.46) ALDH1A1SMN1; SMN2DRD2DRD3MGLL
SCHEMBL12697308 0.76 MTNR1A (0.56) ALDH1A1SMN1; SMN2MGLLFAAHHSP90AA1
SCHEMBL9737672 0.76 MGLL (0.46) ALDH1A1SMN1; SMN2DRD2DRD3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018960-A1 IMPROVED METHODS FOR PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2023-02-16 — — WO disclosed
US-20170088668-A1 N-MALEIMIDYL POLYMER DERIVATIVES NEKTAR THERAPEUTICS 2017-03-30 — — US disclosed
US-9169350-B2 N-maleimidyl polymer derivatives NEKTAR THERAPEUTICS (US) 2015-10-27 — — US disclosed
US-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2015-07-30 — — US disclosed
US-20150166725-A1 N-Maleimidyl Polymer Derivatives NEKTAR THERAPEUTICS (US) 2015-06-18 — — US disclosed
WO-2015057847-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-04-23 — — WO disclosed
US-8992902-B2 N-maleimidyl polymer derivatives NEKTAR THERAPEUTICS (US) 2015-03-31 — — US disclosed
US-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-10-02 — — US disclosed
US-20140256957-A1 N-Maleimidyl Polymer Derivatives NEKTAR THERAPEUTICS (US) 2014-09-11 — — US disclosed
US-8765111-B2 N-maleimidyl polymer derivatives NEKTAR THERAPEUTICS (US) 2014-07-01 — — US disclosed
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC (US) 2014-02-06 — — US disclosed
WO-2013126564-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2013-08-29 — — WO disclosed
US-8454946-B2 N-maleimidyl polymer derivatives NEKTAR THERAPEUTICS (US) 2013-06-04 — — US disclosed
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-09-06 — — US disclosed
US-20090246211-A1 Molecular constructs suitable for targeted conjugates TAPESTRY PHARMACEUTICALS, INC. 2009-10-01 — — 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-20170088668-A1 N-MALEIMIDYL POLYMER DERIVATIVES NGLY1, PIN1, NMT2 ALDH1A1 4566/4885SMN1; SMN2 1918/4885POLB 2901/4885
US-20140296322-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CD44, DIS3, POLN ALDH1A1 2920/4885SMN1; SMN2 347/4885POLB 79/4885
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 ALDH1A1 3222/4885SMN1; SMN2 558/4885POLB 127/4885
US-20150209440-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CD44, DIS3, POLN ALDH1A1 2920/4885SMN1; SMN2 347/4885POLB 79/4885
US-20090246211-A1 Molecular constructs suitable for targeted conjugates MRPL21, QSOX1, MLX ALDH1A1 820/4885SMN1; SMN2 3913/4885POLB 3551/4885
US-20120225129-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 ALDH1A1 3222/4885SMN1; SMN2 558/4885POLB 127/4885

“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.

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