SCHEMBL6777058

SCHEMBL6777058

O=c1ncn(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.37
HCAR1 Q9BXC0 2/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KAT2B Q92831 2/20 0.34
NLRP3 Q96P20 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33

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
SCHEMBL6986315 0.72 SMN1; SMN2 (0.64) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL6987750 0.64 NPSR1 (0.42) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL792758 0.63 HTT (0.50) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL11156275 0.61 HPGD (0.58) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL18865500 0.60 ALKBH5 (0.50) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL11363821 0.60 GSK3A (0.60) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL4666728 0.59 CYP3A4 (0.56) POLBHPGDNPSR1HSD17B10NPC1
SCHEMBL15555209 0.58 CYP1A2 (0.52) POLBFAAHMGLLNPC1RAB9A
SCHEMBL3574114 0.58 ALKBH5 (0.40) POLBHPGDNPSR1HSD17B10FAAH
SCHEMBL11720910 0.58 FAAH (0.48) POLBHPGDNPSR1HSD17B10FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 US disclosed
EP-0977741-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-02-09 EP disclosed
WO-1998047879-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-10-29 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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A POLB 871/4885HPGD 506/4885NPSR1 2720/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 POLB 4063/4885HPGD 1665/4885NPSR1 828/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A POLB 871/4885HPGD 506/4885NPSR1 2720/4885

“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.