SCHEMBL3416627

SCHEMBL3416627

CCCCOC(=O)NCc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ANPEP P15144 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 1/20 0.46
ACHE P22303 6/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
P2RX7 Q99572 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
SCHEMBL11089043 0.84 HPGD (0.51) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL7801637 0.83 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL6498349 0.82 TSHR (0.60) RAB9ANPC1ALDH1A1TSHRKMT2A
SCHEMBL11472039 0.82 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL3416633 0.81 TSHR (0.46) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL17773307 0.81 RAB9A (0.47) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL15738726 0.81 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL28593323 0.80 NPC1 (0.58) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL29639573 0.80 RIPK1 (0.58) RIPK1RAB9ANPC1LMNAALDH1A1
SCHEMBL3806762 0.79 EPHX2 (0.56) RAB9ASMN1; SMN2NPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR RIPK1 1857/4885RAB9A 3699/4885SMN1; SMN2 2879/4885

“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.