SCHEMBL3465374

SCHEMBL3465374

NC(=O)C[CH]c1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
UCHL1 P09936 1/20 0.37
USP5 P45974 1/20 0.37
CTH P32929 3/20 0.36
STAT3 P40763 1/20 0.35
PIM1 P11309 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
GRM5 P41594 1/20 0.32
CTSA P10619 1/20 0.32
PARP1 P09874 3/20 0.31
TERT O14746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19124348 0.83 USP9X (0.38) USP9XALDH1A1HPGDUCHL1USP5
SCHEMBL15157687 0.79 TGFBR1 (0.47) ALDH1A1CTSA
SCHEMBL3465384 0.78 USP9X (0.40) USP9XALDH1A1HPGDUCHL1USP5
SCHEMBL17574509 0.76 P2RX7 (0.49) PARP1
SCHEMBL17574518 0.76 SOS2 (0.41) PIM1PARP1
SCHEMBL3466761 0.76 PIM1 (0.34) PIM1KDM4ELMNAPKM
SCHEMBL3465576 0.74 LOX (0.39) PIM1LMNAPARP1
SCHEMBL3466471 0.73 CNR2 (0.35) ALDH1A1PARP1
SCHEMBL3092743 0.71 NPC1 (0.48) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL13155513 0.69 FAAH (0.40) ALDH1A1HPGDLMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 USP9X 2436/4885ALDH1A1 523/4885HPGD 1380/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 USP9X 4199/4885ALDH1A1 268/4885HPGD 227/4885

“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.