SCHEMBL2775701

SCHEMBL2775701

O=CNC(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MME P08473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 3/20 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
SCHEMBL11503746 0.83 SRC (0.47) CNR2KMT2AALDH1A1OPRK1
SCHEMBL2478440 0.82 CYP2D6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14871996 0.82 CYP2D6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2777368 0.82 CYP2D6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9041460 0.81 LMNA (0.41) CNR2ALDH1A1LMNASMN1; SMN2OPRK1
SCHEMBL13181790 0.79 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL558020 0.77 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL558019 0.77 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22468482 0.76 SRD5A2 (0.47) ALDH1A1SMN1; SMN2HPGD
SCHEMBL26163517 0.76 CES2 (0.44) MEN1KMT2AALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435433-B1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS MERCK SHARP & DOHME (NL) 2013-08-28 EP disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-8071587-B2 (Dihydro)imidazoiso[5,1-A]quinolines N. V. ORGANON (NL) 2011-12-06 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 US disclosed
US-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES N.V. ORGANON (NL) 2010-12-23 US disclosed
WO-2010136438-A1 (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS N.V. ORGANON (NL) 2010-12-02 WO disclosed
WO-2010136438-A1 (DIHYDRO) IMIDAZOISO (5, 1-A) QUINOLINES AS FSH RECEPTOR AGONISTS FOR THE TREATMENT OF FERTILITY DISORDERS N.V. ORGANON (NL) 2010-12-02 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 (1 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-20100324021-A1 (DIHYDRO)IMIDAZOISO[5,1-A]QUINOLINES NQO2, IPO5, SCN5A HDAC3 223/4885HDAC4 732/4885HDAC1 255/4885

“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.