Sugi Predict

Sugi Predict / Compounds / SCHEMBL416823

SCHEMBL416823

SCHEMBL416823

COc1ccc(Cl)c(NC(=O)COCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ P2RX7 Q99572 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48

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
SCHEMBL30116211 0.85 L3MBTL1 (0.64) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20596981 0.85 L3MBTL1 (0.64) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL201344 0.84 ALDH1A1 (0.63) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL28597048 0.82 NPC1 (0.64) POLBNPC1RAB9AALDH1A1KDM4E
SCHEMBL12748231 0.82 KMT2A (0.71) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8864260 0.79 SMN1; SMN2 (0.69) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL27839544 0.78 TDP1 (0.61) CYP1A2CYP2C19SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30021051 0.77 TDP1 (0.61) POLBSMN1; SMN2ALDH1A1KDM4EP2RX7
SCHEMBL20596945 0.77 POLB (0.62) POLBALDH1A1KDM4EP2RX7TDP1
SCHEMBL30116223 0.77 POLB (0.62) POLBALDH1A1KDM4EP2RX7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022178-B1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LTD (GB) 2018-12-26 — — EP disclosed
CN-105452221-B Enantiomer separation and purification of 2,3,4, 9-tetrahydro-1H-carbazole-4-carboxamide derivatives 通用电气健康护理有限公司 2018-11-23 — — CN disclosed
EP-2552891-B1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LTD (GB) 2018-08-08 — — EP disclosed
US-9815785-B2 Enantiomeric separation and purification of 2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid amide derivatives GE HEALTHCARE LIMITED (GB) 2017-11-14 — — US disclosed
EP-2411362-B1 Tricyclic indole derivatives as PBR ligands GE HEALTHCARE LTD (GB) 2017-05-31 — — EP disclosed
CN-103179991-B In vivo imaging method for cancer 通用电气健康护理有限公司 2016-08-24 — — CN disclosed
US-20160168091-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-16 — — US disclosed
EP-3022178-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE Healthcare Limited (GB) 2016-05-25 — — EP disclosed
US-9314541-B2 In vivo imaging method for cancer GE HEALTHCARE LIMITED (GB) 2016-04-19 — — US disclosed
CN-105452221-A Enantiomer separation and purification of 2, 3, 4, 9-tetrahydro-1H-carbazole-4-carboxamide derivatives GE HEALTHCARE LTD 2016-03-30 — — CN disclosed
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2013-07-18 — — US disclosed
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2013-07-11 — — US disclosed
CN-103179991-A In vivo imaging method for cancer GE HEALTHCARE LTD 2013-06-26 — — CN disclosed
EP-2552891-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE Healthcare Limited (GB) 2013-02-06 — — EP disclosed
WO-2012038532-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2012-03-29 — — WO disclosed
EP-2411362-A2 INDOLE DERIVATIVES GE Healthcare UK Limited (GB) 2012-02-01 — — EP disclosed
US-20120020884-A1 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-26 — — US disclosed
WO-2011117421-A1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LIMITED (GB) 2011-09-29 — — WO disclosed
US-20110070161-A1 ACTIVE ENANTIOMER GE HEALTHCARE LIMITED (GB) 2011-03-24 — — US disclosed
WO-2010109007-A2 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-30 — — 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 (5 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-20120020884-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT POLB 3954/4885NPC1 1038/4885RAB9A 2854/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 POLB 1441/4885NPC1 713/4885RAB9A 2175/4885
US-20110070161-A1 ACTIVE ENANTIOMER GABRA5, GABRP, GABRA4 POLB 1979/4885NPC1 707/4885RAB9A 3034/4885
US-20160168091-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES IDO2, IDO1, TPH2 POLB 3511/4885NPC1 3986/4885RAB9A 2321/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 POLB 4055/4885NPC1 1517/4885RAB9A 836/4885

“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.