SCHEMBL6912849

SCHEMBL6912849

Oc1ccc(F)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
IDO1 P14902 3/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
THRB P10828 2/20 0.35
HKDC1 Q2TB90 2/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL9467854 0.83 CA3 (0.41) CA3CA6CA5ACA9CA14
SCHEMBL1616373 0.81 HIF1A (0.54) CA3CA6CA5ACA9CA14
SCHEMBL1906156 0.79 KLF10 (0.50) CA3CA6CA5ACA9CA14
SCHEMBL3307736 0.78 IDO1 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL30149750 0.78 IDO1 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL27662135 0.78 GABRA1 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL364672 0.77 ESR1 (0.53) CA3CA6CA5ACA9CA14
SCHEMBL30041111 0.77 CA3 (0.44) CA3CA6CA5ACA9CA14
SCHEMBL620852 0.77 CA3 (0.44) CA3CA6CA5ACA9CA14
SCHEMBL620853 0.77 CA3 (0.44) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024787-B Method for catalyzing ring-opening polymerization of epsilon-caprolactone by using [ OSSO ] type complex 河北工业大学 2022-05-10 CN claimed
CN-113024787-A Method for catalyzing ring-opening polymerization of epsilon-caprolactone by using [ OSSO ] type complex 河北工业大学 2021-06-25 CN claimed
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed
CN-113024787-B Method for catalyzing ring-opening polymerization of epsilon-caprolactone by using [ OSSO ] type complex 河北工业大学 2022-05-10 CN disclosed
CN-113024787-A Method for catalyzing ring-opening polymerization of epsilon-caprolactone by using [ OSSO ] type complex 河北工业大学 2021-06-25 CN disclosed
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 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 (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-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 CA3 2300/4885CA6 3170/4885CA5A 996/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 CA3 2485/4885CA6 3565/4885CA5A 1165/4885

“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.