SCHEMBL3282218

SCHEMBL3282218

O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc(Cl)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.66
▸ HTT P42858 1/20 0.66
▸ RAB9A P51151 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.57
▸ TAS1R1 Q7RTX1 1/20 0.57
▸ TAS1R2 Q8TE23 1/20 0.57
▸ P2RX1 P51575 2/20 0.54
▸ KCNMA1 Q12791 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ P2RX7 Q99572 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.48
▸ PKM P14618 1/20 0.47

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
SCHEMBL3276770 0.84 KCNMA1 (0.55) LMNAHTTTAS1R3TAS1R1TAS1R2
SCHEMBL3276794 0.84 MAPT (0.61) LMNAHTTRAB9AP2RX1KCNMA1
SCHEMBL14886086 0.81 MEN1 (0.61) HTTRAB9ANPC1KCNMA1HSD17B10
SCHEMBL3278413 0.79 ABL1 (0.63) KCNMA1RRM1RRM2BMPL
SCHEMBL6154264 0.79 RRM1 (0.60) LMNAHTTRAB9ANPC1KCNMA1
SCHEMBL3277194 0.78 TMPRSS4 (0.61) P2RX1KCNMA1KDM4EMAPTP2RX4
SCHEMBL3282170 0.78 TMPRSS4 (0.61) P2RX1KCNMA1KDM4EMAPTP2RX4
SCHEMBL14886015 0.77 GCK (0.75) LMNAHTTRAB9ANPC1P2RX1
SCHEMBL15916030 0.77 MEN1 (0.69) LMNARAB9ANPC1KCNMA1KDM4E
SCHEMBL13055739 0.77 KCNMA1 (0.60) RAB9ANPC1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 — — US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 — — US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 — — US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 — — US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 — — US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 — — US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 — — 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 (8 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA LMNA 953/4885HTT 4053/4885RAB9A 3691/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 LMNA 1236/4885HTT 600/4885RAB9A 2827/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 LMNA 1058/4885HTT 3795/4885RAB9A 4418/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT LMNA 1278/4885HTT 700/4885RAB9A 2536/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA LMNA 670/4885HTT 14/4885RAB9A 3333/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 LMNA 1264/4885HTT 3533/4885RAB9A 2290/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR LMNA 1400/4885HTT 532/4885RAB9A 2704/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR LMNA 1423/4885HTT 509/4885RAB9A 2770/4885

“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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