SCHEMBL22017126

SCHEMBL22017126

COc1cc(F)cc(Cl)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.31
RORC P51449 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL13913529 0.87 PDE3B (0.38) GAAPDE3BPDE3AMAOAMAOB
SCHEMBL13913528 0.82 PDE3B (0.35) RAB9AGAAPDE3BPDE3AMAOA
SCHEMBL8817829 0.80 LMNA (0.32) LMNA
SCHEMBL13747962 0.79 GAA (0.39) NPC1SMN1; SMN2GAAPDE3BPDE3A
SCHEMBL13748161 0.78 ALDH1A1 (0.40) NPC1GAAKDM4EALDH1A1LMNA
SCHEMBL15783781 0.78 HDAC4 (0.39) NPC1SMN1; SMN2GAAPDE3BPDE3A
SCHEMBL21979047 0.78 NPC1 (0.41) NPC1SMN1; SMN2RAB9AGAAPDE2A
SCHEMBL30905948 0.78 NPC1 (0.41) NPC1SMN1; SMN2RAB9AGAAPDE2A
SCHEMBL30842457 0.76 ERN1 (0.37) NPC1GAAPDE3BPDE3AALDH1A1
SCHEMBL24986389 0.76 PDE2A (0.41) GAAPDE2AKDM4EALDH1A1THRB

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (9 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 NPC1 1334/4885SMN1; SMN2 1977/4885RAB9A 380/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 NPC1 1510/4885SMN1; SMN2 2200/4885RAB9A 363/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 NPC1 170/4885SMN1; SMN2 1294/4885RAB9A 271/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 NPC1 1334/4885SMN1; SMN2 1977/4885RAB9A 380/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 NPC1 170/4885SMN1; SMN2 1294/4885RAB9A 271/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 NPC1 1334/4885SMN1; SMN2 1977/4885RAB9A 380/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B NPC1 1714/4885SMN1; SMN2 3146/4885RAB9A 247/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 NPC1 1334/4885SMN1; SMN2 1977/4885RAB9A 380/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 NPC1 170/4885SMN1; SMN2 1294/4885RAB9A 271/4885

“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.