SCHEMBL17609477

SCHEMBL17609477

O=C(Nc1ccccc1)Nc1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
NPC1 O15118 6/20 1.00
HTT P42858 3/20 1.00
LMNA P02545 2/20 0.72
ALDH1A1 P00352 2/20 0.72
GAA P10253 2/20 0.71
KDM4E B2RXH2 2/20 0.68
KLK7 P49862 1/20 0.68
POLB P06746 1/20 0.66
MAPT P10636 3/20 0.65
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA9 Q16790 2/20 0.65
PKM P14618 1/20 0.64
RECQL P46063 1/20 0.62
TP53 P04637 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL27193044 0.88 RAB9A (0.77) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL6823516 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL29757933 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL24272365 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL5595167 0.85 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL21834398 0.84 NPC1 (1.00) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL16946643 0.84 MAPT (0.76) RAB9ASMN1; SMN2NPC1HTTLMNA
Water SCHEMBL30430295 0.83 HTT (0.97) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL21834403 0.82 NPC1 (0.81) RAB9ASMN1; SMN2NPC1HTTLMNA
SCHEMBL22926423 0.82 HTT (0.70) RAB9ASMN1; SMN2NPC1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US claimed
EP-3194399-B1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PECSI TUDOMANYEGYETEM (HU) 2019-04-10 EP claimed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US claimed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP claimed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 WO claimed
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US disclosed
EP-3194399-B1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PECSI TUDOMANYEGYETEM (HU) 2019-04-10 EP disclosed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US disclosed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP disclosed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 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 (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-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders TRPV1, P2RX3, P2RX7 RAB9A 3374/4885SMN1; SMN2 559/4885NPC1 984/4885
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS TRPV1, P2RX3, P2RX4 RAB9A 2980/4885SMN1; SMN2 669/4885NPC1 1136/4885

“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.