SCHEMBL3229047

SCHEMBL3229047

O=[N+]([O-])c1ccc(C2(CI)CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HTR1E P28566 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3237033 0.83 TSHR (0.44) NPC1RAB9ALOXL2MAPTHTR1E
SCHEMBL3220574 0.78 CA12 (0.39) MAPTHTR1ENPSR1S1PR3LMNA
SCHEMBL2817503 0.75 MAOA (0.52) LOXL2TSHRALDH1A1ACHEHSD17B10
SCHEMBL1769433 0.75 TSHR (0.47) NPC1RAB9ALOXL2MAPTHTR1E
SCHEMBL14176144 0.75 ATM (0.49) LOXL2MAPTHTR1ENPSR1S1PR3
SCHEMBL3419936 0.75 NPC1 (0.32) NPC1RAB9AMAPTHTR1ENPSR1
SCHEMBL9110057 0.74 HSD17B10 (0.48) NPC1RAB9AMAPTHTR1ENPSR1
SCHEMBL28662620 0.73 NPC1 (0.46) NPC1RAB9AMAPTHTR1ENPSR1
SCHEMBL17109519 0.73 ALDH1A1 (0.47) LOXL2MAPTLMNAALDH1A1ACHE
SCHEMBL3616662 0.72 SLC6A4 (0.58) MAPTLMNATSHRCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — 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 (1 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 NPC1 3887/4885RAB9A 2789/4885LOXL2 3131/4885

“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.

Send feedback