SCHEMBL2993937

SCHEMBL2993937

O=C1CCCCN1c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
CDK2 P24941 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 3/20 0.40
LMNA P02545 2/20 0.40
CACNA2D1 P54289 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR3 Q99500 1/20 0.39
USP2 O75604 1/20 0.38
PDK2 Q15119 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL2995689 0.81 HTR6 (0.38) RAB9ANPC1ALDH1A1PARP1LMNA
SCHEMBL21515221 0.74 BRD9 (0.49) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL27806587 0.74 DRD2 (0.35)
SCHEMBL12930942 0.74 MAPT (0.39) RAB9ANPC1ALDH1A1LMNAF10
SCHEMBL7151978 0.73 CDK2 (0.61) CDK2RAB9ANPC1ALDH1A1HPGD
SCHEMBL77996 0.72 BRD9 (0.47) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL27806750 0.71 DRD2 (0.39) LMNA
SCHEMBL8267983 0.71 BRD9 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16178892 0.71 BRD9 (0.46) RAB9ANPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL5421060 0.71 BRD9 (0.46) RAB9ANPC1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 US disclosed
US-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF ROHRIG SUSANNE 2010-07-22 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 (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-20100184767-A1 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF XDH, OXA1L, PPOX HCRTR1 3075/4885CDK2 898/4885RAB9A 4528/4885

“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.