SCHEMBL17495017

SCHEMBL17495017

Cc1c(Br)cccc1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL265392 0.86 ALDH1A1 (0.55) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4623246 0.85 MAPT (0.50) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL26114052 0.84 POLB (0.62) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30586983 0.84 POLB (0.62) NPC1RAB9AKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL11412334 0.83 MAPT (0.48) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL2097429 0.81 KMT2A (0.66) NPC1RAB9AHTTLMNAKMT2A
SCHEMBL19279109 0.80 TGM2 (0.49) LMNAPOLBEGFRALDH1A1
SCHEMBL15147334 0.80 KDM4E (0.46) NPC1RAB9AHTTLMNAKMT2A
SCHEMBL994038 0.80 PDK1 (0.53) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL14157620 0.80 LMNA (0.46) NPC1RAB9AHTTLMNAKMT2A

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-4159720-A1 NONSYMMETRIC SUBSTITUTED 1,1'-BIPHENYL DERIVATIVES AND USES THEREOF Recepton Spolka z Ograniczona Odpowiedzialnoscia (PL) 2023-04-05 EP disclosed
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3233802-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 NPC1 4654/4885RAB9A 3387/4885HTT 4287/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 NPC1 4654/4885RAB9A 3387/4885HTT 4287/4885

“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.