SCHEMBL17307262

SCHEMBL17307262

OC[C@H]1CC[C@H](NCc2ccccc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
SMYD3 Q9H7B4 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
PABPC1 P11940 1/20 0.39
MPO P05164 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 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
SCHEMBL696339 0.88 KDM1A (0.56) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL25091239 0.84 KDM1A (0.47) KDM1AMAOAMAOBKMT2AMEN1
Formic Acid SCHEMBL5082488 0.83 KDM1A (0.48) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL24093122 0.80 KMT2A (0.61) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL2167248 0.78 ATM (0.46) MAOAMAOBKMT2AMEN1LMNA
SCHEMBL22570236 0.77 KDM1A (0.46) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL15672056 0.77 KDM1A (0.46) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL24267576 0.77 KDM1A (0.46) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL22570235 0.77 KDM1A (0.46) KDM1AMAOAMAOBKMT2AMEN1
SCHEMBL22570243 0.77 KDM1A (0.46) KDM1AMAOAMAOBKMT2AMEN1

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-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2017-01-19 US disclosed
US-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 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 (2 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-20170015631-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM KDM1A 497/4885MAOA 3784/4885MAOB 3541/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM KDM1A 497/4885MAOA 3784/4885MAOB 3541/4885

“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.