SCHEMBL15023278

SCHEMBL15023278

Clc1ccc(-c2ccc(I)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ NOTUM Q6P988 4/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ RPA1 P27694 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MGAM O43451 1/20 0.34

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
SCHEMBL256008 0.77 HSD11B1 (0.48) RAB9ASMN1; SMN2NPC1MAPTCASP1
SCHEMBL12236588 0.77 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTMAOB
SCHEMBL23731087 0.77 CYP1A2 (0.64) RAB9ASMN1; SMN2NPC1MAPTMAOB
SCHEMBL1752781 0.74 SLC6A2 (0.50) RAB9ASMN1; SMN2NPC1MAPTCASP1
SCHEMBL29393106 0.74 SLC6A2 (0.50) RAB9ASMN1; SMN2NPC1MAPTCASP1
SCHEMBL15888366 0.74 SLC6A2 (0.47) RAB9ASMN1; SMN2NPC1MAPTCASP1
SCHEMBL928222 0.70 METAP2 (0.39) RAB9ASMN1; SMN2NPC1MAPTMETAP2
SCHEMBL2609382 0.69 MAOB (0.39) RAB9ASMN1; SMN2NPC1MAPTCASP1
SCHEMBL17826979 0.69 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1MAPTCASP1
SCHEMBL256041 0.69 MCHR1 (0.41) RAB9ASMN1; SMN2NPC1MAPTCASP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 — — EP disclosed
EP-2797884-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-04-13 — — EP disclosed
EP-2797884-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-04-13 — — EP disclosed
EP-2797884-A1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2014-11-05 — — EP disclosed
EP-2794586-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2014-10-29 — — EP disclosed
CN-104093705-A New azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INT 2014-10-08 — — CN disclosed
US-8623860-B2 Azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-8623860-B2 Azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-8623860-B2 Azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
WO-2013098375-A1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — WO disclosed
US-20130172316-A1 New azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
WO-2013098375-A1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — WO disclosed
US-20130172316-A1 New azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
US-20130172316-A1 New azetidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
WO-2013092616-A1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 — — WO disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — US disclosed
US-20130158004-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — 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-20130172316-A1 New azetidine derivatives, pharmaceutical compositions and uses thereof QDPR, AZI2, CYP2C19 RAB9A 256/4885SMN1; SMN2 3787/4885NPC1 463/4885
US-20130158004-A1 Azetidine Derivatives GPR119, LIPE, LPL RAB9A 282/4885SMN1; SMN2 2984/4885NPC1 39/4885

“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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