SCHEMBL1374438

SCHEMBL1374438

Nc1cccc([N+](=O)[O-])c1CO

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PDE7A Q13946 1/20 0.46
TDP1 Q9NUW8 7/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
CTSD P07339 1/20 0.42
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
PLAU P00749 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL514833 0.86 GPR35 (0.58) GPR35SMN1; SMN2TDP1ALDH1A1TSHR
SCHEMBL3393735 0.86 GPR35 (0.46) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
SCHEMBL6737148 0.85 SMN1; SMN2 (0.46) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
Alcohol SCHEMBL11148831 0.84 FBP1 (0.46) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
SCHEMBL3599344 0.83 SMN1; SMN2 (0.47) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
SCHEMBL6741088 0.83 SMN1; SMN2 (0.47) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
SCHEMBL11032366 0.81 TSHR (0.52) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
SCHEMBL1668133 0.81 TDP1 (0.48) GPR35SMN1; SMN2PDE7ATDP1ALDH1A1
SCHEMBL8399481 0.79 GPR35 (0.58) GPR35SMN1; SMN2TDP1ALDH1A1TSHR
SCHEMBL5622028 0.79 ALDH1A1 (0.53) GPR35SMN1; SMN2TDP1ALDH1A1TSHR

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-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2592083-A1 FUSED QUINAZOLINE DERIVATIVES AND USES THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2013-05-15 EP disclosed
US-20110288086-A1 POLYCYCLIC QUINAZOLINES, PREPARATION THEREOF, AND USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2011-11-24 US disclosed
US-8044047-B2 5-substituted benzoxazines HOFFMAN-LA ROCHE INC. (US) 2011-10-25 US disclosed
CN-102149698-A 5-substituted benzoxazines HOFFMANN LA ROCHE 2011-08-10 CN disclosed
EP-2328881-A1 5-SUBSTITUTED BENZOXAZINES F. Hoffmann-La Roche AG (CH) 2011-06-08 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20100063042-A1 5-SUBSTITUTED BENZOXAZINES HOFFMANN-LA ROCHE, INC. 2010-03-11 US disclosed
WO-2010026112-A1 5-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 WO disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 CN disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (5 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT GPR35 3216/4885SMN1; SMN2 4672/4885PDE7A 2536/4885
US-20110288086-A1 POLYCYCLIC QUINAZOLINES, PREPARATION THEREOF, AND USE THEREOF AURKA, AURKC, AURKB GPR35 2396/4885SMN1; SMN2 4624/4885PDE7A 876/4885
US-20100063042-A1 5-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 GPR35 26/4885SMN1; SMN2 1235/4885PDE7A 634/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 GPR35 2630/4885SMN1; SMN2 3258/4885PDE7A 1385/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT GPR35 2694/4885SMN1; SMN2 4556/4885PDE7A 2508/4885

“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.