SCHEMBL18173307

SCHEMBL18173307

NC(=O)c1ccc(CN2CCC(=O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GAA P10253 1/20 0.56
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC8 Q9BY41 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
MAP3K11 Q16584 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2907506 0.84 HDAC1 (0.65) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL12627005 0.83 HRH3 (0.57) KMT2AHDAC1HDAC6HDAC8HRH3
SCHEMBL2912150 0.83 HRH3 (0.64) MEN1KMT2AGAAHDAC1HDAC6
Hydrochloric Acid SCHEMBL27587927 0.81 HRH3 (0.62) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL2906006 0.80 HDAC6 (0.68) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL2776747 0.80 ALDH1A1 (0.59) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL3920368 0.80 SIGMAR1 (0.56) MEN1KMT2AGAAHDAC1HRH3
SCHEMBL4060259 0.80 KDM4E (0.57) MEN1KMT2AGAAHDAC1HDAC6
SCHEMBL2912823 0.80 HPGD (0.64) KMT2AHRH3
SCHEMBL18173125 0.80 HDAC1 (0.56) KMT2AHDAC1HDAC6HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A MEN1 3493/4885KMT2A 26/4885GAA 307/4885

“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.