SCHEMBL6833148

SCHEMBL6833148

O=C(Nc1ccc(Br)cc1C(=O)O)c1ncc(-c2ccc3c(c2)OCO3)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MC4R P32245 1/20 0.48
PPARG P37231 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MAPT P10636 3/20 0.42
STING1 Q86WV6 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 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
SCHEMBL6834460 0.86 POLB (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6830685 0.83 TUBB4A (0.58) MEN1KMT2AMAPTSTING1AKR1C4
SCHEMBL6834025 0.83 HDAC1 (0.47) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6830367 0.82 NPC1 (0.74) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6833263 0.80 HDAC6 (0.51) MEN1KMT2APOLBMAPTSTING1
SCHEMBL6834004 0.80 TUBB4A (0.44) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL6830680 0.78 FAAH (0.49) MEN1KMT2AMAPTSTING1AKR1C4
SCHEMBL6834625 0.78 HDAC1 (0.53) RXFP1KDM4EMAPTAKR1C4AKR1C3
SCHEMBL6349587 0.78 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6830399 0.76 AKR1C2 (0.47) MEN1KMT2APOLBRXFP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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 (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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 NPC1 3778/4885RAB9A 4337/4885MEN1 4132/4885

“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.