SCHEMBL19689337

SCHEMBL19689337

O=C(OCC1(F)CC1CO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PRKCA P17252 6/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL19689338 1.00 TDP1 (0.44) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL9836346 0.82 TDP1 (0.46) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL24850183 0.78 TDP1 (0.42) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL20475015 0.78 TDP1 (0.42) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL20475014 0.78 TDP1 (0.42) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL17837383 0.76 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL17838017 0.76 TDP1 (0.50) TDP1KMT2AMAPK1HIF1ASLC6A2
SCHEMBL18729836 0.76 CYP3A4 (0.39) TDP1MAPK1HIF1ASLC6A3LMNA
SCHEMBL30411073 0.76 CYP3A4 (0.39) TDP1MAPK1HIF1ASLC6A3LMNA
SCHEMBL18498438 0.76 CYP3A4 (0.39) TDP1MAPK1HIF1ASLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441576-B2 Substituted 1,2-dihydro-3H pyrrolo[1,2-c]imidazol-3 one antibacterials IDORSIA PHARMACEUTICALS LTD. (CH) 2019-10-15 US disclosed
EP-3334737-B1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2019-10-09 EP disclosed
EP-3221300-B1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-03-20 EP disclosed
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-01-31 US disclosed
US-20180251434-A1 ANTIBACTERIAL HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2018-09-06 US disclosed
US-20180235938-A1 SUBSTITUTED 1,2-DIHYDRO-3H PYRROLO[1,2-c]IMIDAZOL-3 ONE ANTIBACTERIALS IDORSIA PHARMACEUTICALS LTD. (CH) 2018-08-23 US disclosed
US-20170355687-A1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-14 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 (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-20180235938-A1 SUBSTITUTED 1,2-DIHYDRO-3H PYRROLO[1,2-c]IMIDAZOL-3 ONE ANTIBACTERIALS CTSH, MRPL21, CASP3 TDP1 3309/4885KMT2A 3524/4885MAPK1 794/4885
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES PYCR1, PSPH, RPSA TDP1 4144/4885KMT2A 1491/4885MAPK1 700/4885
US-10441576-B2 Substituted 1,2-dihydro-3H pyrrolo[1,2-c]imidazol-3 one antibacterials CTSH, MRPL21, CASP3 TDP1 3309/4885KMT2A 3524/4885MAPK1 794/4885
US-20170355687-A1 ANTIBACTERIAL BENZOTHIAZOLE DERIVATIVES CYP8B1, TUBB, DRD3 TDP1 4087/4885KMT2A 482/4885MAPK1 2377/4885
US-20180251434-A1 ANTIBACTERIAL HETEROCYCLIC DERIVATIVES MRPL21, DCXR, Q6ZSR9 TDP1 4348/4885KMT2A 3564/4885MAPK1 2365/4885

“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.