SCHEMBL3117809

SCHEMBL3117809

Cc1[nH]c(C(=O)O)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 2/20 0.43
PIN1 Q13526 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAP2K1 Q02750 1/20 0.41
TTR P02766 1/20 0.40
KCNA6 P17658 1/20 0.40
KCNA3 P22001 1/20 0.40
KCNA4 P22459 1/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
DAO P14920 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17999890 0.83 MAP2K1 (0.41) SMN1; SMN2MAP2K1TTRKCNA6KCNA3
SCHEMBL5751749 0.81 EIF4A3 (0.35) ALOX15NFKB1BLMSMN1; SMN2PIN1
SCHEMBL17130065 0.78 XDH (0.57) ALDH1A1MAP2K1KCNA6KCNA3KCNA4
SCHEMBL12777647 0.77 KDM4E (0.55) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL1518075 0.77 MAP2K1 (0.65) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL282290 0.76 GPR35 (0.48) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL10879188 0.76 NOTUM (0.55) ALOX15NFKB1BLMSMN1; SMN2GPR35
SCHEMBL402033 0.75 ALDH1A1 (0.50) ALOX15SMN1; SMN2ALDH1A1LMNACYP2C19
SCHEMBL23421678 0.74 HRH3 (0.46) ALOX15SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL508616 0.74 GRIN1 (0.47) ALOX15NFKB1BLMSMN1; SMN2GPR35

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
CN-117886821-A Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-16 CN disclosed
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 WO disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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 (3 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 ALOX15 1295/4885NFKB1 222/4885BLM 3517/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR ALOX15 1090/4885NFKB1 818/4885BLM 1338/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 ALOX15 3099/4885NFKB1 234/4885BLM 2281/4885

“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.