SCHEMBL3783775

SCHEMBL3783775

CC(C)(C)c1cc(N)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.44
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HTR1D P28221 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ACLY P53396 1/20 0.34
HSD17B2 P37059 1/20 0.33

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
SCHEMBL22081766 0.82 CYP3A4 (0.50) CYP3A4TP53ALDH1A1MAPK1THRB
SCHEMBL112570 0.82 POLB (0.55) TP53POLBGABRA1GABRB2MAPT
SCHEMBL2593638 0.82 POLB (0.55) CYP3A4TP53POLBGABRA1GABRB2
SCHEMBL803437 0.82 TSHR (0.50) CYP3A4TP53POLBGABRA1GABRB2
SCHEMBL10183607 0.82 GABRA1 (0.52) POLBGABRA1GABRB2MAPTGAA
Hydrochloric Acid SCHEMBL23530441 0.79 POLB (0.59) TP53POLBGABRA1GABRB2MAPT
Iodide SCHEMBL32662609 0.79 POLB (0.52) TP53POLBGABRA1GABRB2MAPT
SCHEMBL19433633 0.77 CYP3A4 (0.44) CYP3A4TP53POLBMAPTALDH1A1
SCHEMBL1012745 0.76 CYP3A4 (0.55) CYP3A4TP53MAPTALDH1A1HPGD
SCHEMBL29944959 0.76 CYP3A4 (0.55) CYP3A4TP53MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 CYP3A4 2246/4885TP53 4371/4885POLB 4854/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TP53 2819/4885POLB 2303/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP3A4 4706/4885TP53 915/4885POLB 2216/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP3A4 4706/4885TP53 915/4885POLB 2216/4885

“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.