SCHEMBL2987997

SCHEMBL2987997

COc1cccc2c(I)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
EP300 Q09472 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4594856 0.86 IDO1 (0.57) IDO1CA1CA2CA12CA7
SCHEMBL31116611 0.85 CA1 (0.61) IDO1CA1CA2CA12CA7
SCHEMBL357145 0.85 CA1 (0.61) IDO1CA1CA2CA12CA7
SCHEMBL12473426 0.80 CA1 (0.55) IDO1CA1CA2CA12CA7
SCHEMBL30608894 0.77 NOS1 (0.44) IDO1HPGDALDH1A1LMNATP53
SCHEMBL1269977 0.77 NOS1 (0.44) IDO1HPGDALDH1A1LMNATP53
SCHEMBL7285232 0.76 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL4136425 0.76 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL245025 0.75
SCHEMBL29463736 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745579-B2 Extrudable poly(propylene) compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-08-18 US disclosed
US-20200071557-A1 EXTRUDABLE POLY(PROPYLENE) COMPOSITIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-03-05 US disclosed
US-10556990-B2 Porous/nanoporous PHT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-02-11 US disclosed
US-20190211152-A1 POROUS/NANOPOROUS PHT INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-07-11 US disclosed
US-10328415-B2 Methods and apparatus for controlling metals in liquids INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-06-25 US disclosed
US-10329380-B2 Lactide-derived polymers with improved materials properties via polyhexahydrotriazines (PHT) reaction INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-06-25 US disclosed
US-9931409-B2 Methods and materials for therapeutic delivery INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-03 US disclosed
US-9890248-B2 Porous/nanoporous PHT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-02-13 US disclosed
US-20170173170-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-06-22 US disclosed
US-20170145143-A1 SYNTHESIS OF DYNAMIC COVALENT 3D CONSTRUCTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-05-25 US disclosed
US-9598608-B2 Soluble, processable polyhemiaminals and polyhexahydrotriazines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-03-21 US disclosed
US-20170066662-A1 METHODS AND APPARATUS FOR CONTROLLING METALS IN LIQUIDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-03-09 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2009010947-A1 NEW DONOR-ACCEPTOR-DONOR-ACCEPTOR COMPOUNDS FOR NON-LINEAR APPLICATIONS MEMPILE INC. (US) 2009-01-22 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 IDO1 599/4885CA1 4871/4885CA2 4563/4885
US-20170173170-A1 METHODS AND MATERIALS FOR THERAPEUTIC DELIVERY PAICS, PHPT1, MAPT IDO1 2176/4885CA1 42/4885CA2 102/4885

“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.