SCHEMBL536254

SCHEMBL536254

BrCCCCn1cccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TBXAS1 P24557 1/20 0.32
NPC1 O15118 6/20 0.31
RAB9A P51151 6/20 0.31
HTT P42858 5/20 0.31
LMNA P02545 3/20 0.31
APOBEC3A P31941 2/20 0.31
APOBEC3G Q9HC16 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PABPC1 P11940 1/20 0.31
GALR3 O60755 2/20 0.30
POLB P06746 2/20 0.30
ATM Q13315 2/20 0.30
MAPK1 P28482 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL536256 0.97 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL537208 0.97 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL7997897 0.97 TP53 (0.37) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL20465806 0.85 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL28164781 0.82 TP53 (0.34) TP53NPC1RAB9AHTTLMNA
SCHEMBL27458343 0.82 TP53 (0.46) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL691481 0.78 TP53 (0.48) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL7529371 0.72 TP53 (0.39) TP53TBXAS1NPC1RAB9AHTT
SCHEMBL4623792 0.72 PIM1 (0.41) TP53TBXAS1LMNA
SCHEMBL536585 0.72 TP53 (0.39) TP53TBXAS1NPC1RAB9AHTT

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-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US claimed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US claimed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP claimed
EP-2414432-B1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE CO (US) 2017-05-31 EP disclosed
CN-104144930-B New indolizine derivatives, method for preparing same and pharmaceutical compositions containing same 瑟维尔实验室 2017-02-22 CN disclosed
US-9315595-B2 Amine-terminated telechelic polymers and precursors thereto and methods for their preparation CHEVRON ORONITE COMPANY LLC (US) 2016-04-19 US disclosed
CN-102356114-B Amine-terminated telechelic polymers and precursors thereto and methods for their preparation CHEVRON ORONITE CO 2014-06-25 CN disclosed
US-20140031497-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2014-01-30 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-8552122-B2 Amine-terminated telechelic polymers and precursors thereto and methods for their preparation THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2013-10-08 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
CN-102356114-A Amine-terminated telechelic polymers and precursors thereto and methods for their preparation CHEVRON ORONITE CO 2012-02-15 CN disclosed
EP-2414432-A2 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION Chevron Oronite Company LLC (US) 2012-02-08 EP disclosed
WO-2010117619-A2 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE COMPANY LLC (US) 2010-10-14 WO disclosed
US-20100249001-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION UNIVERSITY OF SOUTHERN MISSISSIPPI 2010-09-30 US disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP 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 (4 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS TP53 3810/4885TBXAS1 269/4885NPC1 4376/4885
US-20100249001-A1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION TERT, TELO2, TSPO TP53 3927/4885TBXAS1 90/4885NPC1 3879/4885
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF MTOR, PKN2, MAP3K15 TP53 1651/4885TBXAS1 912/4885NPC1 2900/4885
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB TP53 2597/4885TBXAS1 1587/4885NPC1 1441/4885

“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.