Sugi Predict

Sugi Predict / Compounds / SCHEMBL17673237

SCHEMBL17673237

SCHEMBL17673237

C=CC[C@@H](C)Oc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSPB1 P04792 1/20 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
SCHEMBL19518297 1.00 TDP1 (0.37) TDP1NPC1RAB9ARECQLKDM4E
SCHEMBL17673201 0.82 TSHR (0.48) TDP1NPC1RAB9AKDM4ETSHR
SCHEMBL15283229 0.81 TDP1 (0.44) TDP1NPC1RAB9ARECQLKDM4E
SCHEMBL17673274 0.80 ALDH1A1 (0.44) NPC1RAB9AKDM4ETSHRSMN1; SMN2
SCHEMBL17673208 0.78 TSHR (0.45) TDP1TSHRALDH1A1HTTMAPT
SCHEMBL19518286 0.78 TSHR (0.45) TDP1TSHRALDH1A1HTTMAPT
SCHEMBL28837910 0.76 CYP1A2 (0.43) TDP1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL28837911 0.76 CYP1A2 (0.43) TDP1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL17673125 0.75 RAB9A (0.42) TDP1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL5699210 0.75 TDP1 (0.41) TDP1NPC1RAB9ARECQLKDM4E

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
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 — — CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 — — EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 TDP1 2493/4885NPC1 412/4885RAB9A 4381/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 TDP1 2493/4885NPC1 412/4885RAB9A 4381/4885

“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.