SCHEMBL8853797

SCHEMBL8853797

CC1CC(=O)Nc2ccccc2S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 1.00
BRD4 O60885 8/20 1.00
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.64
HSD17B10 Q99714 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
EP300 Q09472 1/20 0.53
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL9629696 0.83 CREBBP (0.71) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL9629512 0.83 BRD4 (0.71) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL10353037 0.79 BRD4 (0.66) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL8853841 0.79 MEN1 (1.00) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL11069336 0.79 BRD4 (0.66) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL8853794 0.79 BRD4 (0.65) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL9629698 0.78 CREBBP (0.64) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL9817819 0.78 ALDH1A1 (1.00) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL9629427 0.77 CREBBP (0.62) CREBBPBRD4MEN1KMT2AALDH1A1
SCHEMBL8853387 0.76 BRD4 (0.61) CREBBPBRD4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-0657407-B1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1997-12-10 EP disclosed
US-5475164-A Process for preparing 3-fluoro-4,6-dichlorotoluene BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0657407-A1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1995-06-14 EP disclosed
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0324181-B1 PROCESS FOR THE PREPARATION OF BENZOTHIAZEPINONE DERIVATIVES BAYER AG (DE) 1991-11-27 EP disclosed
US-4948886-A Process for the preparation of benzothiazepinone derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0324181-A1 Process for the preparation of benzothiazepinone derivatives BAYER AG (DE) 1989-07-19 EP disclosed
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 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 (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-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE CREBBP 3123/4885BRD4 3655/4885MEN1 1673/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 CREBBP 3251/4885BRD4 2092/4885MEN1 1686/4885

“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.