SCHEMBL9899992

SCHEMBL9899992

C=C(OCC)c1ccc2cnc(Cl)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE1B Q01064 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
AKT1 P31749 1/20 0.34
MAOB P27338 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4404628 0.77 DGAT1 (0.42) DGAT1RAB9AKDM4EMAPTCYP1A2
SCHEMBL24196323 0.76 DGAT1 (0.39) DGAT1RAB9AKDM4EMAPTCYP1A2
SCHEMBL23219333 0.74 DGAT1 (0.49) DGAT1RAB9AKDM4EMAPTCYP2C9
SCHEMBL31047253 0.73 DGAT1 (0.39) DGAT1MAPTCYP2C19L3MBTL1SMN1; SMN2
SCHEMBL933100 0.72 MAOA (0.40) RAB9AKDM4EMAPTCYP1A2CYP2C9
SCHEMBL9899008 0.72 CYP2A6 (0.51) DGAT1RAB9AKDM4EMAPTCYP1A2
SCHEMBL21645388 0.72 CYP1A2 (0.47) RAB9AKDM4EMAPTCYP1A2POLB
SCHEMBL15553325 0.72 ALOX15 (0.50) KDM4EMAPTL3MBTL1AKT1ALDH1A1
SCHEMBL30523282 0.72 ALOX15 (0.50) KDM4EMAPTL3MBTL1AKT1ALDH1A1
SCHEMBL16193288 0.71 DGAT1 (0.41) DGAT1RAB9AKDM4EMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-11-12 US disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
EP-2861601-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2018-02-07 EP disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
EP-2859009-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 US disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2014-01-23 US disclosed
EP-2649076-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2013-10-16 EP disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513184-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES SELCIA LIMITED (GB) 2013-01-24 US disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 WO disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 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 (6 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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS DGAT1 1072/4885RAB9A 2218/4885KDM4E 1883/4885
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS DGAT1 1072/4885RAB9A 2218/4885KDM4E 1883/4885
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS DGAT1 1072/4885RAB9A 2218/4885KDM4E 1883/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS DGAT1 1072/4885RAB9A 2218/4885KDM4E 1883/4885
US-20140023616-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 DGAT1 1022/4885RAB9A 2195/4885KDM4E 1654/4885
US-20130022573-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, CYP2F1 DGAT1 1022/4885RAB9A 2195/4885KDM4E 1654/4885

“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.