SCHEMBL5104085

SCHEMBL5104085

NC1(c2nc3cc(Cl)ccc3[nH]2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.44
▸ HRH4 Q9H3N8 4/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ LIMK1 P53667 1/20 0.36

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
SCHEMBL5100661 0.95 PARP1 (0.43) PARP1HRH4NPC1TP53HPGD
SCHEMBL5104031 0.92 HRH4 (0.41) PARP1HRH4NPC1HPGDRAB9A
SCHEMBL16235629 0.81 SSTR4 (0.42) PARP1HRH4NPC1HPGDRAB9A
SCHEMBL15311000 0.79 PARP1 (0.41) PARP1HRH4HRH3HCRTR1HCRTR2
SCHEMBL22369858 0.78 HRH4 (0.39) HRH4NPC1TP53HPGDTSHR
SCHEMBL15311018 0.77 SCN10A (0.40) PARP1HRH4HRH3HCRTR1HCRTR2
SCHEMBL3491291 0.75 HTR3A (0.50) HRH4NPC1TP53HPGDTSHR
SCHEMBL15311225 0.74 SCN10A (0.40) PARP1HRH4HRH3HCRTR1HCRTR2
SCHEMBL14162138 0.73 AKT2 (0.67) —
SCHEMBL14162395 0.73 AKT2 (0.47) HRH4HPGDSMN1; SMN2ALDH1A1

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
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 — — US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 — — US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 — — EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 — — 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PARP1 2255/4885HRH4 589/4885NPC1 4222/4885

“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.

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