SCHEMBL873620

SCHEMBL873620

O=C(c1cc(Br)ccc1F)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
DGAT1 O75907 1/20 0.42
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
HTR1F P30939 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 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
SCHEMBL1173693 0.93 DGAT1 (0.44) ALDH1A1KMT2AMEN1DGAT1CCR1
SCHEMBL18547956 0.87 HTR3E (0.44) KMT2AMEN1DGAT1CCR1CCR2
SCHEMBL17997263 0.83 DGAT1 (0.54) ALDH1A1KMT2ADGAT1CCR1CCR2
SCHEMBL18547998 0.83 HTR1F (0.58) KMT2AHTR1FL3MBTL1
SCHEMBL18554588 0.82 HSD11B1 (0.48) ALDH1A1KMT2AMEN1HTR1F
SCHEMBL24147773 0.82 DGAT1 (0.41) ALDH1A1KMT2AMEN1DGAT1MAPT
SCHEMBL22823915 0.81 HPGD (0.56) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL20101149 0.80 HTR1F (0.43) ALDH1A1KMT2AMEN1DGAT1MAPT
SCHEMBL13427 0.79 DGAT1 (0.58) ALDH1A1KMT2AMEN1DGAT1CCR1
SCHEMBL30833732 0.79 DGAT1 (0.58) ALDH1A1KMT2AMEN1DGAT1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
EP-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (4 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALDH1A1 1228/4885KMT2A 2021/4885MEN1 4385/4885
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS ALDH1A1 2214/4885KMT2A 2836/4885MEN1 3606/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ALDH1A1 2214/4885KMT2A 2836/4885MEN1 3606/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALDH1A1 1228/4885KMT2A 2021/4885MEN1 4385/4885

“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.